Crystallography Open Database

Information card for entry 2200027

2200026 << 2200027 >> 2200028

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2200027.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	9β,11β-Epoxy-3β-hydroxy-5α-androstan-17-one
Formula	C19 H28 O3
Calculated formula	C19 H28 O3
SMILES	C1C[C@H](O)C[C@@H]2CC[C@@H]3[C@]4([C@@]12C)[C@@H](O4)C[C@]1([C@H]3CCC1=O)C
Title of publication	9β,11β-Epoxy-3β-hydroxy-5α-androstan-17-one
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 E
Year of publication	2001
Journal volume	57
Journal issue	1
Pages of publication	o39 - o40
a	7.3171 ± 0.0003 Å
b	10.6462 ± 0.0006 Å
c	21.0401 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1639.01 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.037
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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