Information card for entry 1552944

Structure parameters

• Formula: C30 H45 N4 O2
• Calculated formula: C30 H44 N4 O2
• SMILES: O=C1N2[C@@H]([C@@H]3[C@H]4N(C=C([C@@H]5N6[C@H]7[C@H](CN8C(=O)CCC[C@@H]8[C@H]7CCC6)CC5)C3)CCC[C@H]4C2)CCC1
• 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: 6.0631 ± 0.0001 Å
• b: 9.7279 ± 0.0002 Å
• c: 11.3631 ± 0.0002 Å
• α: 89.483 ± 0.001°
• β: 87.316 ± 0.002°
• γ: 77.462 ± 0.002°
• Cell volume: 653.51 ± 0.02 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No