Crystallography Open Database

Information card for entry 4510898

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Structure parameters

Formula	C25 H42 N2 O2
Calculated formula	C25 H42 N2 O2
SMILES	[nH]1nc2c(c1)C[C@@]1([C@H]3CC[C@@]4([C@@](O)(CC[C@H]4[C@@H]3CC[C@H]1C2)C)C)C.O[C@H](CC)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	25.321 ± 0.002 Å
b	7.421 ± 0.002 Å
c	15.393 ± 0.002 Å
α	90°
β	123.4°
γ	90°
Cell volume	2414.8 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4510898.cif
179655	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.	4510898.cif
114178	2014-05-22	cif/ Adding structures of 4510898 via cif-deposit CGI script.	4510898.cif