Information card for entry 1552945

Structure parameters

• Formula: C31 H48 N4 O3
• Calculated formula: C31 H48 N4 O3
• SMILES: O=C1N2C[C@H]3[C@@H]4N(CCC3)[C@H](C3=CN5[C@H]6[C@@H](C3)CN3C(=O)CCC[C@@H]3[C@H]6CCC5)CC[C@@H]4[C@H]2CCC1.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: 8.4347 ± 0.0001 Å
• b: 8.6934 ± 0.0001 Å
• c: 9.8006 ± 0.0001 Å
• α: 101.982 ± 0.001°
• β: 95.217 ± 0.001°
• γ: 96.552 ± 0.001°
• Cell volume: 693.518 ± 0.014 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No