Information card for entry 2016778

Structure parameters

• Chemical name: 5α-Androst-3-en-17-one oxime
• Formula: C19 H29 N O
• Calculated formula: C19 H29 N O
• SMILES: N(=C1\[C@]2(CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@]34C)[C@@H]2CC1)C)/O
• Title of publication: 5α-Androst-3-en-17-one oxime
• Authors of publication: Andrade, L. C. R.; Almeida, M. J. M. de; Fernandes Roleira, F. M.; Varela, C. L.; Tavares da Silva, E. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o508 - o510
• a: 6.351 ± 0.0012 Å
• b: 42.306 ± 0.006 Å
• c: 7.1764 ± 0.0006 Å
• α: 90°
• β: 115.651 ± 0.013°
• γ: 90°
• Cell volume: 1738.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes