Crystallography Open Database

Information card for entry 2008951

2008950 << 2008951 >> 2008952

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Coordinates	2008951.cif
Original IUCr paper	HTML

Structure parameters

Formula	C24 H42 N2 O3
Calculated formula	C24 H42 N2 O3
SMILES	O=C1N[C@@H]2[C@](CC1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)C(=O)NC(C)(C)C)C)C.OC
Title of publication	<i>N</i>-<i>tert</i>-Butyl-3-oxo-4-aza-5β,17β-androstane-17-carboxamide methanol solvate, a finasteride impurity
Authors of publication	Moses Babu,J.; Ravindra Kumar, Y.; Vyas, K.; Om Reddy, G.; Rajan, S. T.; Reddy, M. S. N.
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	9
Pages of publication	IUC9900105
a	11.607 ± 0.002 Å
b	20.097 ± 0.005 Å
c	10.449 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2437.4 ± 1.2 Å³
Cell temperature	298.2 K
Ambient diffraction temperature	298.2 K
Number of distinct elements	4
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	0.101
Residual factor for significantly intense reflections	0.081
Weighted residual factors for all reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections	1.862
Goodness-of-fit parameter for all reflections included in the refinement	1.976
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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