Information card for entry 1517380

Structure parameters

• Formula: C20 H28 N2 O3
• Calculated formula: C20 H28 N2 O3
• SMILES: O.O(c1cc2[C@]3(O)C(=Nc2cc1)[C@@H]1C[C@@H]2CN(CC3)[C@H]1[C@H](C2)CC)C
• Title of publication: Iboga-Type Alkaloids from Ervatamia officinalis.
• Authors of publication: Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 8
• Pages of publication: 1839
• a: 7.67421 ± 0.00012 Å
• b: 12.52462 ± 0.00016 Å
• c: 9.64312 ± 0.00018 Å
• α: 90°
• β: 100.659 ± 0.0017°
• γ: 90°
• Cell volume: 910.87 ± 0.03 ų
• Cell temperature: 173 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No