Information card for entry 1558623

Structure parameters

• Formula: C20 H20 N2 O3
• Calculated formula: C20 H20 N2 O3
• SMILES: O1C(=O)[C@H]([C@]23[C@]41N(CC=C2)CC[C@]14c2c(NC(=O)[C@H]1C3)cccc2)C
• Title of publication: Structurally Diverse Indole Alkaloids with Vasorelaxant Activity from Melodinus hemsleyanus
• Authors of publication: Zhang, Jian; Liu, Zhi-Wen; Li, Yong; Wei, Cui-Jie; Xie, Jing; Yuan, Meng-Fei; Zhang, Dong-Mei; Ye, Wen-Cai; Zhang, Xiao-Qi
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 7.6535 ± 0.0003 Å
• b: 13.7374 ± 0.0005 Å
• c: 31.5932 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3321.7 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.2315
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No