Crystallography Open Database

Information card for entry 2011641

2011640 << 2011641 >> 2011642

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Structure parameters

Chemical name	5α-9(11)(16)-pregnadien-3β-ol-20-oxime acetate
Formula	C23 H33 N O3
Calculated formula	C23 H33 N O3
SMILES	O/N=C(/C1=CC[C@@H]2[C@]1(C)CC=C1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)OC(=O)C)C
Title of publication	20-Hydroxyimino-5α-pregna-9(11),16-dien-3β-yl acetate and 17-oxo-5α-androst-9(11)-en-3β-yl acetate
Authors of publication	Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	12
Pages of publication	e582 - e583
a	7.0198 ± 0.0002 Å
b	12.0153 ± 0.0005 Å
c	24.669 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2080.7 ± 0.2 Å³
Cell temperature	293 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	0.0459
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for all reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections	1.057
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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