Crystallography Open Database

Information card for entry 7231918

7231917 << 7231918 >> 7231919

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Coordinates	7231918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 N2 O5
Calculated formula	C28 H38 N2 O5
Title of publication	Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons
Authors of publication	Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	13
Pages of publication	2144
a	8.8708 ± 0.0018 Å
b	15.609 ± 0.003 Å
c	18.593 ± 0.004 Å
α	90°
β	90.01 ± 0.03°
γ	90°
Cell volume	2574.5 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0309
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223634 (current)	2019-11-07	cif/ Updating files of 7231918, 7231919, 7231920, 7231921 Original log message: Adding full bibliography for 7231918--7231921.cif.	7231918.cif
212303	2018-12-04	cif/ Adding structures of 7231918, 7231919, 7231920, 7231921 via cif-deposit CGI script.	7231918.cif