Information card for entry 2011751

Structure parameters

• Common name: sipeimine
• Chemical name: 3β,20β-dihydroxy-6-one-5α-cevanine
• Formula: C27 H43 N O3
• Calculated formula: C27 H43 N O3
• SMILES: O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@H]2[C@H]3[C@@H](CC[C@@H]12)[C@@](O)(C)[C@H]1N(C3)C[C@H](CC1)C)C
• Title of publication: Sipeimine, a steroidal alkaloid from <i>Fritillaria</i> <i>roylei</i> Hooker
• Authors of publication: Jiang, Ren-Wang; Ma, Shuang-Cheng; But, Paul P. H.; Dong, Hui; Mak, Thomas C. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 170 - 171
• a: 6.6185 ± 0.0005 Å
• b: 12.3948 ± 0.0008 Å
• c: 14.5069 ± 0.001 Å
• α: 90°
• β: 90.822 ± 0.001°
• γ: 90°
• Cell volume: 1189.95 ± 0.14 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: 0.0613
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No