Information card for entry 7224465

Structure parameters

• Chemical name: 3S-(24S-hydroxyethyl)-coronaridine
• Formula: C23 H30 N2 O3
• Calculated formula: C23 H30 N2 O3
• SMILES: O[C@H]([C@H]1N2CCc3c([nH]c4c3cccc4)[C@@]3(C[C@H]1C[C@H](CC)[C@H]23)C(=O)OC)C
• Title of publication: New Iboga-Type Alkaloids from Ervatamia hainanensis
• Authors of publication: Liu, Zhi-Wen; Huang, Xiao-Jun; Xiao, Han-Lin; Liu, Guo; Zhang, Jian; Shi, Lei; Jiang, Renwang; Zhang, Xiao-Qi; Ye, Wen-Cai
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.7015 ± 0.0008 Å
• b: 10.7426 ± 0.0008 Å
• c: 10.0282 ± 0.001 Å
• α: 90°
• β: 107.663 ± 0.01°
• γ: 90°
• Cell volume: 995.86 ± 0.16 ų
• Cell temperature: 173 ± 0.3 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0536
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No