Information card for entry 7224467

Structure parameters

• Chemical name: 3-oxo-7S-coronaridine hydroxyindolenine
• Formula: C21 H24 N2 O4
• Calculated formula: C21 H24 N2 O4
• SMILES: O[C@@]12C(=Nc3c2cccc3)[C@@]2(C[C@@H]3C(=O)N(CC1)[C@H]2[C@H](C3)CC)C(=O)OC
• 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: 8.78022 ± 0.00019 Å
• b: 13.8217 ± 0.0004 Å
• c: 15.0748 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1829.44 ± 0.08 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No