Information card for entry 1552943

Structure parameters

• Formula: C32 H47 N5 O4
• Calculated formula: C32 H47 N5 O4
• SMILES: O1[C@@]2([C@H]1[C@@H]1[C@@H]3N([C@@H]2C#N)CCC[C@@H]3[C@@H]2N(C(=O)CCC2)C1)[C@H]1N2CCC[C@@H]3[C@H]2[C@@H]([C@@H]2N(C(=O)CCC2)C3)CC1.OC
• Title of publication: Alopecuroides A–E, Matrine-Type Alkaloid Dimers from the Aerial Parts of Sophora alopecuroides
• Authors of publication: Fan, Chun-Lin; Zhang, Yu-Bo; Chen, Ye; Xie, Pei; Wang, Guo-Cai; Tian, Hai-Yan; Li, Yao-Lan; Huang, Xiao-Jun; Zhang, Xiao-Qi; Li, Zhi-Yong; Liu, Jun-Shan; Ye, Wen-Cai; Chen, Wei-Min
• Journal of publication: Journal of Natural Products
• Year of publication: 2019
• a: 8.24073 ± 0.00009 Å
• b: 13.46168 ± 0.00014 Å
• c: 12.86894 ± 0.00014 Å
• α: 90°
• β: 94.5223 ± 0.001°
• γ: 90°
• Cell volume: 1423.16 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0378
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No