Information card for entry 2224805

Structure parameters

• Chemical name: 5α-Androst-3-en-17β-yl acetate
• Formula: C21 H32 O2
• Calculated formula: C21 H32 O2
• SMILES: C1CC=C[C@@H]2CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3CC[C@@H]1OC(=O)C)C
• Title of publication: 5α-Androst-3-en-17β-yl acetate
• Authors of publication: Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o184
• a: 14.7728 ± 0.0003 Å
• b: 6.2673 ± 0.0001 Å
• c: 20.2514 ± 0.0005 Å
• α: 90°
• β: 99.874 ± 0.001°
• γ: 90°
• Cell volume: 1847.21 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes