Information card for entry 1516051

Structure parameters

• Formula: C18 H19.26 N O5.13
• Calculated formula: C18 H19.26 N O5.13
• SMILES: O1COc2c1cc1[C@@]34C=C[C@@H](OC)C[C@@H]3N(C[C@@H]4OC(=O)c1c2)C.O
• Title of publication: Cytotoxic alkaloids from the whole plants of Zephyranthes candida.
• Authors of publication: Luo, Zengwei; Wang, Fuqian; Zhang, Jinwen; Li, Xingyao; Zhang, Mengke; Hao, Xincai; Xue, Yongbo; Li, Yan; Horgen, F. David; Yao, Guangmin; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 12
• Pages of publication: 2113 - 2120
• a: 8.1308 ± 0.0002 Å
• b: 17.5736 ± 0.0003 Å
• c: 11.0262 ± 0.0002 Å
• α: 90°
• β: 94.94 ± 0.001°
• γ: 90°
• Cell volume: 1569.65 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No