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Difractómetro de rayos X con microfoco único o dual para todas sus necesidades de cristalografía

Un sistema rápido y ágil para el análisis en 3D de pequeña molécula/H2>

XtaLAB Synergy-S

Pensando en su éxito, hemos producido el difractómetro XtaLAB Synergy-S para la difracción de rayos X de monocristal. Con una combinación de componentes de punta y un software inspirado en el usuario; vinculados por medio de una arquitectura altamente paralelizada, el XtaLAB Synergy-S produce datos rápidos y precisos de una manera inteligente.

El sistema se basa en nuestra nueva serie de fuentes de microfoco PhotonJet-S. Esta tercera generación de fuentes ha sido diseñada para maximizar los fotones de rayos X en la muestra mediante el uso de una combinación de nuevas ópticas, nuevos tubos más duraderos, y un sistema de alineación mejorada. Los PhotonJets están disponibles en longitudes de onda Cu, Mo o Ag, ya sea en una configuración de fuente única o doble.

El nuevo goniómetro kappa ha sido completamente rediseñado para incorporar una mayor velocidad de motor y un brazo telescópico único de dos thetas para proporcionar una flexibilidad total en su experimento de difracción. El goniómetro es compatible con la más amplia variedad de detectores para satisfacer sus necesidades. CCD o HPC? Usted elije.

Beneficios:

  • Mejora significativa en la calidad y la velocidad de la recolección de datos sobre los anteriores sistemas de microfoco de tubo sellado.
  • Una distancia del detección más larga o más corta significa que se puede analizar una variedad más amplia de muestras con una precisión excepcional.
  • Mínimo tiempo de inactividad con tubo de rayos X de larga duración, compatible con diagnósticos y solución de problemas en línea.
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Features

  • Fuente de alto flujo y aumento de la velocidad del goniómetro para permitir experimentos más ágiles y rápidos.
  • Telescópico único de brazo dos thetas para llegar a distancias largas y cortas de cristal a detector.
  • Diseño de goniómetro kappa mejorado con posicionamiento simétrico 2θ.
  • Nueva fuente de alto flujo con tubos de rayos X de más larga duración.
  • Mecanismo de alineamiento óptico de rayos X mejorado para un fácil mantenimiento.
  • La más amplia variedad de detectores disponibles: HPC o CCD
  • Caja de diseño inspirado en el usuario para un mejor flujo de trabajo
  • Nueva iluminación de la caja y del cristal controlada electrónicamente.

This video shows the XtaLAB Synergy-S single crystal X-ray diffractometer in action. Watch the fast diffractometer race the Rigaku office coffee machine to obtain a the X-ray crystal structure; this system is fast!

If you are unable to view this video, click here to download it (354 MB).


HyPix-6000HE: Hybrid photon counting X-ray detector


hypix
Rigaku Oxford Diffraction now offers the HyPix-6000HE Hybrid Photon Counting (HPC) X-ray detector. Like all HPCs, the HyPix-6000HE offers direct X-ray photon counting, single pixel point spread function and extremely low noise. The HyPix-6000HE HPC offers a small pixel size of 100 microns, which allows you to better resolve reflections for long unit cells as well as improving reflection profile analysis. The HyPix-6000HE has a high frame rate of 100 Hz, as well as a unique Zero Dead Time mode providing the ultimate in error-free shutterless data collection.
    Detector   HyPix-6000HE
    Active area   77.5 mm x 80.0 mm
    Dynamic quantum efficiency (Cu-Kα) > 98%
    Dynamic range 31-bits
    Counting rate per pixel 1 x 10⁶ X-ray photons/sec
    Readout speed 0 ms in ZeroDeadTime mode
    Maximum frame rate 100 Hz
    Point-spread function 1 pixel
    Cooling Air-cooled
    Humidity control Not required
    Pixel size 100 μm x 100 μm


PILATUS3 R 200K: Low maintenance, direct photon counting X-ray detector


pilatus
The PILATUS3 R 200K is a hybrid photon counting (HPC) X-ray detector designed to achieve the best possible data quality for diffraction experiments. HPC detectors are direct-detection, single-photon counting devices that have essentially no noise and high sensitivity. Moreover, the high dynamic range excellent DQE characteristics for the PILATUS3 R 200K means that they it is well suited for accurately measuring weak reflections alongside very strong reflections - overload corrections and separate scans for weak and strong data are not necessary. The readout time for the PILATUS3 R 200K is 7 msec readout speed, making it capable of true shutterless data collection, thus removing errors associated with shutter open/close and goniometer start/stop events. HPC X-ray detectors have revolutionized the way data are collected at synchrotrons and the PILATUS3 R detectors bring those same capabilities to collect the best possible data at home.
Detector   PILATUS3 R 200K
Active area   83.8 mm x 70.0 mm
Sensor Reverse-biased silicon diode array
Dynamic quantum efficiency (Cu-Kα; Mo-Kα) > 98%; > 76%
Dynamic range 20-bits
Counting rate per pixel 2 x 10⁶ X-ray photons/sec
Readout speed 7 msec
Maximum frame rate 20 Hz
Point-spread function 1 pixel
Cooling Air-cooled
Humidity control Nitrogen or dry air flow
Pixel size 172 μm x 172 μm


PILATUS3 R 300K: Direct photon counting X-ray detector with larger active area


pilatus
The PILATUS3 R 300K is a hybrid photon counting (HPC) X-ray detector that is desirable by labs who desire the benefits offered by PILATUS detectors combined with 4-circle goniometers, but prefer a larger active area. HPC detectors are direct-detection, single-photon counting devices that have essentially no noise and high sensitivity. Moreover, the high dynamic range excellent DQE characteristics for the PILATUS3 R 300K means that they it is well suited for accurately measuring weak reflections alongside very strong reflections - overload corrections and separate scans for weak and strong data are not necessary. The readout time for the PILATUS3 R 300K is 7 msec readout speed, making it capable of true shutterless data collection, thus removing errors associated with shutter open/close and goniometer start/stop events. HPC X-ray detectors have revolutionized the way data are collected at synchrotrons and the PILATUS3 R detectors bring those same capabilities to collect the best possible data at home.
Detector   PILATUS3 R 300K
Active area   83.8 mm x 106.5 mm
Sensor Reverse-biased silicon diode array
Dynamic quantum efficiency (Cu-Kα; Mo-Kα) > 98%; > 76%
Dynamic range 20-bits
Counting rate per pixel 1 x 10⁷ X-ray photons/sec
Readout speed 7 msec
Maximum frame rate 20 Hz
Point-spread function 1 pixel
Cooling Water-cooled
Humidity control Nitrogen or dry air flow
Pixel size 172 μm x 172 μm

XtaLAB Synergy accessories

Description
Oxford Cryo 800

El Oxford Cryostream Cooler: La serie Cryostream 800 es el sistema de baja temperatura a base de nitrógeno líquido más resistente, eficiente y fácil de usar disponible hoy en día. Las características específicas incluyen un sistema de flujo laminar superior, es decir, prácticamente cero riesgo de formación de hielo, extremadamente silencioso y un sistema de inicio rápido que resulta en un tiempo de enfriamiento de 100K de sólo 20 minutos

 Oxford Cryo 800

User-inspired software for superior X-ray diffraction data quality
Rigaku Oxford Diffraction single crystal X-ray diffractometers come complete with CrysAlisPro, our user-inspired data collection and data processing software for small molecule and protein crystallography. Designed around an easy-to-use graphical user interface, CrysAlisPro can be operated under fully automatic, semi-automatic or manual control.

Notice: New version of CrysAlisPro v39.46 released in April 2018

We welcome user feedback and CrysAlisPro is frequently updated with new features inspired by users. In this way, our software is continually improving so that your diffractometer always provides data of the highest quality. Visit our forum for more information.

How to get CrysAlisPro
The software is freely available for users of Rigaku Oxford Diffraction and can be downloaded from our forum. Please register at http://www.rigakuxrayforum.com. Any queries related to the software may be answered on the forum.

Automatic Crystal Screening

At the heart of CrysAlisPro are the automatic crystal screening, data collection and strategy modules. For a typical crystal, a short pre-experiment lasting less than five minutes is recorded to evaluate crystal quality. From the first frame, CrysAlisPro automatically evaluates the crystal quality and provides the user with information regarding the unit cell, intensity estimation by resolution range and suggested frame exposure times for the full data collection. Additionally, CellCheckCSD (developed with the Cambridge Crystallographic Data Center) helps prevent the collection of known structures by automatically screening the CSD for unit cell matches.

screening

Fastest Strategy Software

CrysAlisPro‘s sophisticated strategy software automatically calculates the optimal conditions for fast, high quality, complete data collection. All strategies are rapidly calculated based on the specific crystal orientation and unit cell dimensions. The user has complete control to optimize the strategy for a wide variety of targets including multiplicity, time and resolution. Strategy calculations are extremely fast and efficient, allowing the user to quickly adapt the data collection conditions for a variety of experiment types, with both Mo and Cu radiation.
Automatic and Concurrent Data Reduction

Data reduction and processing initialize automatically with the start of data collection and employ intelligent routines which tune the parameters to give the best data quality. Processed data are always available and accompanied by real time on-screen feedback of data quality and completeness. CrysAlisPro is programmed for multi-core data processing, meaning rapid results even from the largest data sets.

A Full Complement of Crystallographic Tools

In addition to automatic routines, CrysAlisPro includes a very comprehensive and highly effective range of tools and functions for dealing with non-standard and problematic X-ray diffraction data. These tools are available through the GUI or from a command line interface, and include:

  • Advanced unit cell finding
  • EwaldPro — Reciprocal lattice viewer
  • Twin data processing
  • Incommensurate data processing
  • Automated high pressure data collection and reduction
  • Face-indexing — with automated shape generation
  • Multi-temperature experiments
  • Powder data collection and processing
  • Precession image generation
  • Axial photos

Software Compatibility
Use CrysAlisPro to import and process frames from synchrotrons and other detector formats. Data is automatically output in HKLF format and quick links interface directly to Olex2, CRYSTALS, WinGX and Jana (for use of SHELX, SIR, Superflip and other programs, where installed).

AutoChem

AutoChem is the ultimate productivity tool for chemical crystallography, offering fast, fully automatic structure solution and refinement during data collection. 
Developed exclusively for Rigaku Oxford Diffraction by the authors of Olex2 (Durham University and OlexSys), AutoChem builds upon the success of our original AutoChem software. Seamlessly integrated as an optional plug-in for CrysAlisPro, AutoChem offers an advanced approach for automatic structure determination, with an even higher rate of success.

AutoChem can work with or without a chemical formula, intelligently using multiple solution programs and typically requiring only partial completeness to solve routine structures. In more difficult cases, AutoChem will make attempts in multiple space groups. A number of refinement options are available; atoms are modeled anisotropically where the data supports it and hydrogen atoms are included in calculated geometric positions. The structure is then re-labeled and refined to completion before a final structure report is generated.

WIT

CrysAlisPro displays the structure and key refinement parameters, and provides a link to a full Rigaku Oxford Diffraction’s edition of Olex2 — complete with AutoChem plug-in — which can be launched at any time. Here the user can review all aspects of the refinement, step back to any stage of the process and apply changes as necessary.

Dr John Bacsa, Emory University

bacsaI underestimated the impact a new system would have on the workflow and our ability to analyse multiple samples. It has allowed us to remain competitive, and to be able to provide the necessary service support for research groups in the department.

Dr. Samantha N. MacMillan, Cornell University

macmillanMy decision was ultimately cemented by doing a demo of the instrument and I would recommend that anyone considering making a purchase do one, either in person or virtually. I absolutely would recommend my new system – the combination of speed, quality and design has transformed the way that we are doing research in the facility.

Prof. Christine McKenzie, University of Southern Denmark

mckenzieThe “What-Is-This (WIT)” function means that students’ crystals can be checked more or less immediately. There is no longer the sense that we can’t waste our time and valuable machine time on crystals of well-known compounds.

Papers published containing crystal structures determined using the XtaLAB Synergy single crystal X-ray diffractometers

  1. Gropp C, Husch T, Trapp N, Reiher M, Diederich F. “Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.” J. Am. Chem. Soc. (2017) 139 (35): 12190-12200. http://pubs.acs.org/doi/pdf/10.1021/jacs.7b05461
  2. Diederich F, Trapp N, Wörle M. “Small Molecule Crystallography in the Laboratory of Organic Chemistry at ETH Zürich.” Israel Journal of Chemistry (2017) 57 (1-2): 39-54. http://onlinelibrary.wiley.com/doi/10.1002/ijch.201600030/full
  3. Riwar L-J, Trapp N, Kuhn B, Diederich F. “Substituent Effects in Parallel-Displaced π–π Stacking Interactions: Distance Matters.” Angew. Chem. Int. Ed. (2017) 56 (37): 11252-11257. http://onlinelibrary.wiley.com/wol1/doi/10.1002/anie.201703744/full
  4. Jurburg I D, Davies H M L. “Rhodium- and Non-Metal-Catalyzed Approaches for the Conversion of Isoxazol-5-ones to 2,3-Dihydro-6H-1,3-oxazin-6-ones.” Org. Lett. (2017) 19 (19): 5158 – 5161. http://pubs.acs.org/doi/pdf/10.1021/acs.orglett.7b02436
  5. Phukkaphan N, Cruickshank D L, Murray K S, Phonsri W, Harding P, Harding D. J. “Hysteretic spin crossover driven by anion conformational change.” Chem. Comm. (2017) 53: 9801-9804. http://pubs.rsc.org/en/content/articlelanding/2017/cc/c7cc05998a#!divAbs...
  6. Utecht G, Simona J, Jasiński M, Mlostoń G. “Expected and unexpected results in reactions of fluorinated nitrile imines with (cyclo)aliphatic thioketones.” J. Fluor. Chem. (2017) 201: 68-75. http://www.sciencedirect.com/science/article/pii/S0022113917303081
  7. Azam M, Al-Resayes S I, Soliman S M, Trezesowska-Kruszynska A, Kruszynski R, Khan Z. “A (salicylaldiminato)Pt(II) complex with dimethylpropylene linkage: Synthesis, structural characterization and antineoplastic activity.” J. Photochem. Photobiolo. B. (2017) 176: 150-156. http://www.sciencedirect.com/science/article/pii/S101113441731045X?via%3...
  8. Gach-Janczak K, Piekielna-Ciesielska J, Adamska-Bartłomiejczyk A, Perlikowska R, Kruszyński R, Kluczyk A, Krzywik J, Sukiennik J, Cerlesi M C, Calo G, Wasilewski A, Zielińska M, Janecka A. “Synthesis and activity of opioid peptidomimetics with β2- and β3-amino acids.” Peptides (2017) 95: 116-123. http://www.sciencedirect.com/science/article/pii/S0196978117302504?via%3...
  9. Hao W, Wu X, Sun J Z, Siu J C, MacMillan S, Lin S. “Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.” J. Am. Chem. Soc. (2017) 139 (35): 12141-12144. http://pubs.acs.org/doi/abs/10.1021/jacs.7b06723
  10. Urgiles J, Nathan S R, MacMillan S N, Wilson J J. “Dinuclear nitrido-bridged ruthenium complexes bearing diimine ligands.” Dalton Trans. (2017) 46: 14256-14263. http://pubs.rsc.org/en/content/articlelanding/2017/dt/c7dt03085a#!divAbs...
  11. Romanov S, Bochmann M. “Synthesis, structures and photoluminescence properties of silver complexes of cyclic (alkyl)(amino)carbenes.” J. Organometallic Chem. (2017) 847: 114-120. http://www.sciencedirect.com/science/article/pii/S0022328X17301389
  12. Sarkar K, Dastidar P. “Supramolecular hydrogel derived from a C3-symmetric boronic acid derivative for stimuli-responsive release of insulin and doxorubicin.” Langmuir (2018) 34(2): 685-692. (http://pubs.acs.org/doi/abs/10.1021/acs.langmuir.7b03326)
  13. Jecs E, Miller E J, Wilson R J, Nguyen H H, Tahirovic Y A, Katzmann B M, Truax V M, Kim M B, Kuo K M, Wang T, Sum C S, Cvijic M E, Schroeder G M, Wilson L J, Liotta D C. “Synthesis of Novel Tetrahydroisoquinoline CXCR4 antagonists with rigidified side-chains.” ACS Med. Chem. Lett. (2018) 9(2): 89-93 (http://pubs.acs.org/doi/abs/10.1021/acsmedchemlett.7b00406)
  14. Akondi A M, Gangireddy P, Pickel T C, Liebeskind L S. “Aerobic, Diselenide-Catalyzed Redox Dehydration: Amides and Peptides.” Org. Lett. (2018) 20(3): 538-541 (http://pubs.acs.org/doi/pdf/10.1021/acs.orglett.7b03620)
  15. Nievergelt P P, Babor M, Čejka J, Spingler B. “A high-throughput screening method for the nano-crystallization of salts of organic cations.” Chem. Sci., (2018) 9: 3716-3722 (http://pubs.rsc.org/en/content/articlepdf/2018/sc/c8sc00783g). An additional news article is available at https://phys.org/news/2018-03-method-medication.html )
  16. Junker A K, Hill L R, Thompson A L, Faulkner S, Sørensen T J. “Shining light on the antenna chromophore in lanthanide based dyes.” Dalton Trans., (2018) 47: 4794-4803 (http://dx.doi.org/10.1039/C7DT04788F)
  17. Haberland S, Finke A D, Kerisit N, Katan C, Trolez Y, Gawel P, Leito I, Lõkov M, Järviste R, Kaupmees K, Trapp N, Ruhlmann L, Boudon C, Himmel D, Diederich F. “Enhancement of Push-Pull Properties of Pentafulvene and Pentafulvene Derivatives by Protonation at Carbon.” Eur J. Org. Chem., (2018) 6:739-749 (https://onlinelibrary.wiley.com/doi/abs/10.1002/ejoc.201800039)
  18. Milić J, Zalibera M, Talaat D, Nomrowski J, Trapp N, Ruhlmann L, Boudon C, Wenger O S, Savitsky A, Lubitz W, Diederich F. “Photoredox-Switchable Resorcin[4]arene Cavitands: Radical Control of Molecular Gripping Machinery via Hydrogen Bonding.” Chemistry: A European Journal, (2017) 24(6): 1431-1440 (https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201704788)
  19. Molčanov K, Mou Z, Kertesz M, Kojić-Prodić B, Stalke D, Demeshko S, Šantić A, Stilinović. “Two-electron / multicenter – pancake bonding in π-stacked trimers in a salt of tetrachloroquinone anion.” Chemistry: A European Journal, (2018) just accepted (https://onlinelibrary.wiley.com/doi/pdf/10.1002/chem.201800672)
  20. Movassaghi S, Singh S, Mansur A, Tong K K H, Hanif M, Holtkamp H U, Söhnel T, Jamieson S M F, Hartinger C G. “(Pyridin-2-yl)-NHC Organoruthenium Complexes: Antiproliferative Properties and Reactivity towards Biomolecules.” Organometallics (2018) just accepted 9 May (https://pubs.acs.org/doi/abs/10.1021/acs.organomet.8b00153)
  21. Bacsa J, Ramírez-Palma L G, Cortés-Guzmán F, Wallen C M, Scarborough C C. “An Examination of the Electron Densities in a Series of Tripodal Cobalt Complexes Bridged by Magnesium, Calcium, Strontium and Barium.” Crystals (2018) 8, 234 http://www.mdpi.com/2073-4352/8/6/234/htm
  22. Jimbo T, Tsuji M, Taniguchi R, Sada K, Kokado K. “Control of aggregation-induced emission from a tetraphenylethene derivative through the components in the co-crystal.” Crystal Growth and Design (2018) just accepted 1 June https://pubs.acs.org/doi/pdfplus/10.1021/acs.cgd.8b00141
  23. Akondi S M, Gangireddy P, Pickel T C, Liebeskind L S. “Aerobic, Diselenide-Catalyzed Redox Dehydration: Amides and Peptides.” Org. Lett. (2018) 20:538-541 https://pubs.acs.org/doi/10.1021/acs.orglett.7b03620
  24. Scholl K, Dillashaw J, Timpy E, Lam Y, DeRatt L, Benton T R, Powell J P, Houk K N Morgan J M. “Quinine-Promoted, Enantioselective Boron-Tethered Diels-Alder Reaction by Anomeric Control of Transition-State Conformation.” J. Org Chem. (2018) 83:5756-5765 https://pubs.acs.org/doi/abs/10.1021/acs.joc.8b00938
  25. Morgan M T, Yang B, Harankhedkar S, Nabatilan A, Bourassa D, McCallum A M, Sun F, Wu R, Forest C R, Fahrni C J. “Stabilization of aliphatic phosphines by auxillary phosphine sulfides offers zeptomolar affinity and unprecedented selectivity for probing biological Cu(II).” Angew. Chem (2018) just accepted 8 June 2018 https://onlinelibrary.wiley.com/doi/abs/10.1002/ange.201804072
  26. Bell-Taylor A, Gorden J D, Hardy E E, Goldsmith C R. “A Spin-Crossover Co(II) Complex Catalyzes the Activation of sp3 C-H Bonds by Two Electron Oxidants.” Inorg. Chimi. Acta (2018), just accepted 15 June https://www.sciencedirect.com/science/article/pii/S0020169318306236
  27. Wu Y, Halat D M, Wei F, Binford T, Seymour I D, Gaultois M W, Shaker S, Wang J, Grey C P, Cheetham A K. “Mixed X-site formate-hypophosphite hybrid perovskites.” Chemistry: A European Journal (2018), just accepted 19 June https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201803061
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