Information card for entry 2005638

Structure parameters

• Chemical name: syn-4-androsten-17beta-yl acetate-3-O-benzyloxyme
• Formula: C28 H37 N O3
• Calculated formula: C28 H37 N O3
• SMILES: O(/N=C\1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)C)C)C)Cc1ccccc1
• Title of publication: Three Testosterone Derivatives
• Authors of publication: Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2899 - 2903
• a: 13.507 ± 0.003 Å
• b: 6.117 ± 0.005 Å
• c: 15.25 ± 0.003 Å
• α: 90°
• β: 92.582 ± 0.015°
• γ: 90°
• Cell volume: 1258.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1226
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.1629
• Weighted residual factors for significantly intense reflections: 0.1157
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No