Crystallography Open Database

Information card for entry 4510888

Preview

Coordinates	4510888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 N2 O
Calculated formula	C21 H32 N2 O
SMILES	O[C@@]1([C@]2(CC[C@@H]3[C@]4(Cc5cn[nH]c5C[C@@H]4CC[C@H]3[C@@H]2CC1)C)C)C
Title of publication	17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates
Authors of publication	Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	2829
a	19.454 ± 0.0007 Å
b	18.7009 ± 0.0008 Å
c	10.8348 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3941.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179655 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/08.	4510888.cif
114168	2014-05-22	cif/ Adding structures of 4510888 via cif-deposit CGI script.	4510888.cif