Information card for entry 1505797

Structure parameters

• Formula: C23 H31 N O3
• Calculated formula: C23 H31 N O3
• SMILES: O=C1[C@@H]2C[C@H]3N(C[C@@H]4[C@]3([C@]31C1=C(CC4)CC[C@@H]1[C@@H](C3)C(=O)OC)C)C[C@H]2C
• Title of publication: Daphniyunnines A-E, alkaloids from Daphniphyllum yunnanense.
• Authors of publication: Zhang, Hua; Yang, Sheng-Ping; Fan, Cheng-Qi; Ding, Jian; Yue, Jian-Min
• Journal of publication: Journal of natural products
• Year of publication: 2006
• Journal volume: 69
• Journal issue: 4
• Pages of publication: 553 - 557
• a: 6.8007 ± 0.0007 Å
• b: 11.2573 ± 0.0011 Å
• c: 24.747 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1894.6 ± 0.3 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: 0.064
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No