Hostname: page-component-89b8bd64d-4ws75 Total loading time: 0 Render date: 2026-05-08T04:15:28.586Z Has data issue: false hasContentIssue false
  • English
  • Français

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
Get access

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

Information

Type
New Diffraction Data
Information
Powder Diffraction , Volume 18 , Issue 4 , December 2003 , pp. 306 - 308
Copyright
Copyright © Cambridge University Press 2003

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

Article purchase

Temporarily unavailable

References

Bowers, A., Halsall, T. G., Jones, E. R. H., and Lemin, A. J.(1953). “The Chemistry of the Triterpenes and Related Compounds. Part. XVIII. Elucidation of the Structure of Polyporenic Acid C,” J. Chem. Soc. 2548–2560.Google Scholar
Brown, Herbert C., Garg, Chandra P., and Liu, Kwang-Ting. (1971). “The Oxidation of Secondary Alcohols in Diethyl Ether with Aqueous Chromic Acid. A Convenient Procedure for the Preparation of Ketones in High Epimeric Purity,” J. Org. Chem. JOCEAH 36, 387–390. jog, JOCEAH CrossRefGoogle Scholar
Kulig, M., Leland, L. J., and Smith, L. L. (1973). “Sterol Metabolism. XXV. Cholesterol Oxidation by Singlet Molecular Oxygen,” J. Org. Chem. JOCEAH 38, 3639–3642. jog, JOCEAH CrossRefGoogle ScholarPubMed
Marcelis, A. T. M., Koudijs, A., Klop, E. A., and Sudholter, E. J. R. (2001). “Influence of spacer and terminal groups lengths on the smectic ordering of cholesterol containing dimer liquid crystals,” Liq. Cryst. LICRE6 28, 881–887. lic, LICRE6 CrossRefGoogle Scholar
Ochsner, M. (1997). “Photophysical and photobiological processes in the photodynamic therapy of tumors,” J. Photochem. Photobiol., B JPPBEG 39, 1–18. jpw, JPPBEG CrossRefGoogle Scholar
Parish, J. E.and Li, S. (1996). “A One-Step Synthesis of 6β-hidroxy-Δ4-3-ketones. Novel oxidation of Homoallylic Sterols with Permanganate Ion,” J. Org. Chem. JOCEAH 61, 5665–5666. jog, JOCEAH CrossRefGoogle Scholar
Rajnikant Gupta, V. K., Khan, E. H., Shafi, S., Hasni, S., Shafiullah Varghese, B., and Dinesh, (2001). “Crystal Structure of Cholest-4-ene-3,6-dione: A steroid,” Kristallografiya KRISAJ 46, 963–966. krg, KRISAJ Google Scholar
Rodriguez-Carvajal, J. (1990). “FullProf: A Program for Rietveld refinement and Pattern Matching Analysis,” Collected Abstracts of Powder Diffraction Meeting, Toulouse, France, July 1990, pp. 127–129.Google Scholar
Sheldrick, G. M., Oeser, E., Caira, M. R., Nassimbeni, L. R., and Pauptit, R. A. (1976). “The Crystal and Molecular Structure of Cholest-4-en-3-one,” Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. ACBCAR B32, 1984–1987. acb, ACBCAR CrossRefGoogle Scholar
Smith, L. L., Teng, J. I., Kulig, M. J., and Hill, F. L. (1973). “Sterol Metabolism. XXIII. Cholesterol Oxidation by Radiation-Induced Processes,” J. Org. Chem. JOCEAH 38, 1763–1765. jog, JOCEAH CrossRefGoogle Scholar
Socci, Edward P., Farmer, Barry L., Chabinyc, Michael L., Fratini, Albert V., Bunning, Timothy J., and Adams, Walter W. (1995). “Cholestryl 4-Vinylbenzoate,” Acta Crystallogr., Sect. C: Cryst. Struct. Commun. ACSCEE C51, 888–891. acg, ACSCEE CrossRefGoogle Scholar