Information card for entry 2200683

Structure parameters

• Formula: C31 H48 O4
• Calculated formula: C31 H48 O4
• SMILES: CC(CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H]([C@H]2C)OC(=O)C)C)C)C
• Title of publication: 3β-Acétoxy nor-31-lanostène-7,11-dione
• Authors of publication: Daoubi, M.; Benharref, A.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1187 - o1188
• a: 11.514 ± 0.0006 Å
• b: 11.207 ± 0.0004 Å
• c: 11.848 ± 0.0006 Å
• α: 90°
• β: 109.341 ± 0.002°
• γ: 90°
• Cell volume: 1442.55 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes