Information card for entry 1506444

Structure parameters

• Common name: puqienine A
• Formula: C28 H49 N O4
• Calculated formula: C28 H49 N O4
• SMILES: O.O[C@H]1CC[C@]2([C@H](C1)[C@H](O)C[C@@H]1[C@@H]2CC2=C([C@H](CC[C@@H]12)[C@@H](C)[C@H]1N(C[C@@H](C[C@H]1O)C)C)C)C
• Title of publication: Steroidal alkaloids from the bulbs of Fritillaria puqiensis.
• Authors of publication: Jiang, Yan; Li, Huijun; Li, Ping; Cai, Zhaohui; Ye, Wencai
• Journal of publication: Journal of natural products
• Year of publication: 2005
• Journal volume: 68
• Journal issue: 2
• Pages of publication: 264 - 267
• a: 11.213 ± 0.002 Å
• b: 14.543 ± 0.003 Å
• c: 16.498 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2690.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2021
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No