Crystallography Open Database

Information card for entry 4510887

Preview

Coordinates	4510887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H37 N2 O2.5
Calculated formula	C22 H37 N2 O2.5
SMILES	O[C@@]1([C@]2(CC[C@@H]3[C@]4(Cc5c[nH]nc5C[C@@H]4CC[C@H]3[C@@H]2CC1)C)C)C.OCC.O
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	7.3934 ± 0.0002 Å
b	27.5812 ± 0.0006 Å
c	10.5964 ± 0.0003 Å
α	90°
β	109.234 ± 0.003°
γ	90°
Cell volume	2040.19 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4510887.cif
114167	2014-05-22	cif/ Adding structures of 4510887 via cif-deposit CGI script.	4510887.cif