Information card for entry 2237107

Structure parameters

• Common name: methandrostenolone
• Chemical name: 17β-Hydroxy-17α-methylandrosta-1,4-dien-3-one
• Formula: C20 H28 O2
• Calculated formula: C20 H28 O2
• SMILES: O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3CC[C@]12C)C)C
• Title of publication: 17β-Hydroxy-17α-methylandrosta-1,4-dien-3-one
• Authors of publication: Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o60
• a: 28.317 ± 0.002 Å
• b: 9.4539 ± 0.0005 Å
• c: 13.7684 ± 0.001 Å
• α: 90°
• β: 111.017 ± 0.009°
• γ: 90°
• Cell volume: 3440.7 ± 0.4 ų
• Cell temperature: 297.5 K
• Ambient diffraction temperature: 297.5 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: 0.1191
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes