Small molecule crystallography
 
 
RAPID II Application Byte

 

Analysis of the structure of an organic compound with a long unit cell axis

Compound name:

CTAB-HQ·H2O

Formula:

C25H52NO4Br

Formula weight:

510.59

Crystal size:

0.30 × 0.15 × 0.05 mm

Space group:

P21/c

Unit cell:

a = 8.1972(10) Å
b = 52.179(8) Å
c = 8.9401(12) Å
β = 130.921(2)°
V = 2889.4(7) Å3
Z = 4

Radiation:

CuKα

Data collection temperature:

173K

Detector:

RAPID II

Data provided by Professor Yuji Ohashi, Associate Professor Hidehiro Uekusa, Tokyo Institute of Technology, Graduate School of Science and Engineering