Information card for entry 7224464

Structure parameters

• Chemical name: 3-oxo-7R-coronaridine hydroxyindolenine
• Formula: C23 H27 N3 O4
• Calculated formula: C23 H27 N3 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.N#CC
• 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: 10.0734 ± 0.00018 Å
• b: 9.87893 ± 0.00013 Å
• c: 11.00555 ± 0.00018 Å
• α: 90°
• β: 107.657 ± 0.0019°
• γ: 90°
• Cell volume: 1043.61 ± 0.03 ų
• Cell temperature: 173 ± 0.2 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: 0.0244
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0635
• 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