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Improved powder diffraction data for two cholesterol derivatives

Published online by Cambridge University Press:  05 March 2012

Manuela Ramos Silva ,
Ana Matos Beja ,
José António Paixa˜o ,
Abílio J. F. N. Sobral ,
Ana S. M. Ressurreição  and
A. M. d’A. Rocha Gonsalves
Manuela Ramos Silva
Affiliation:
CEMDRX-Departamento de Física, FCT, Universidade de Coimbra 3004-516 Coimbra, Portugal
Ana Matos Beja
Affiliation:
CEMDRX-Departamento de Física, FCT, Universidade de Coimbra 3004-516 Coimbra, Portugal
José António Paixa˜o
Affiliation:
CEMDRX-Departamento de Física, FCT, Universidade de Coimbra 3004-516 Coimbra, Portugal
Abílio J. F. N. Sobral
Affiliation:
Departamento de Química, FCT, Universidade de Coimbra, 3000 Coimbra, Portugal
Ana S. M. Ressurreição
Affiliation:
Departamento de Química, FCT, Universidade de Coimbra, 3000 Coimbra, Portugal
A. M. d’A. Rocha Gonsalves
Affiliation:
Departamento de Química, FCT, Universidade de Coimbra, 3000 Coimbra, Portugal
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Abstract

New X-ray powder diffraction patterns for two cholesterol derivatives, cholest-4-ene-3,6-dione and cholest-4-en-3-one are reported in the range 0<2θ<115°. Both compounds crystallize in similar monoclinic cells in space-group P21, with unit cell parameters a=10.481(3) Å, b=8.0354(8) Å, c=14.677(3) Å, β=105.265(7)°, V=1192.5(4) Å3 for C27H42O2, and a=10.703(2) Å, b=7.8750(6) Å, c=14.660(3) Å, β=105.205(14)°, V=1192.4(4) Å3 for C27H44O. The patterns, confirmed by single-crystal studies, do not match the PDF 17-1144 and PDF 10-649. A fitting of the overall parameters was performed with Fullprof using the atomic parameters obtained from single-crystal studies.

Keywords

cholest-4-ene-3,6-dionecholest-4-en-3-onecholesterol derivativespowder X-ray diffraction data
Type
New Diffraction Data
Information
Powder Diffraction , Volume 18 , Issue 4 , December 2003 , pp. 306 - 308
Copyright
Copyright © Cambridge University Press 2003

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