Information card for entry 1552942

Structure parameters

• Formula: C31 H51 N5 O7
• Calculated formula: C31 H51 N5 O7
• SMILES: O=C1N2[C@@H]([C@H]3[C@@H]4O[C@@]4([C@@H](N4[C@H]3[C@H](C2)CCC4)C#N)[C@@H]2N3[C@@H]4[C@@H]([C@@H]5N(C(=O)CCC5)C[C@@H]4CC2)CCC3)CCC1.O.O.O.O
• 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: 27.9421 ± 0.0002 Å
• b: 14.47187 ± 0.00013 Å
• c: 7.75513 ± 0.00006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3135.98 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No