Crystallography Open Database

Information card for entry 2311436

Preview

Coordinates	2311436.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	9α,11α-Epoxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-diacetate
Formula	C31 H48 O6
Calculated formula	C31 H48 O6
Title of publication	Crystal structure of an ep-oxy-sterol: 9α,11α-ep-oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di-acetate.
Authors of publication	Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 11
Pages of publication	1603 - 1606
a	9.899 ± 0.0013 Å
b	10.103 ± 0.0016 Å
c	28.961 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2896.4 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245884 (current)	2019-12-25	cif/ Adding structures of 2311436 via cif-deposit CGI script.	2311436.cif