Information card for entry 1542305

Structure parameters

• Formula: C19 H24 N2 O
• Calculated formula: C19 H24 N2 O
• SMILES: OC[C@@H]1c2n(c3ccccc3c2C)[C@H]2N(C/C(=C/C)[C@@H]1C2)C.OC[C@@H]1[C@H]2/C(=C\C)CN([C@@H](n3c4ccccc4c(c13)C)C2)C
• Title of publication: Alstoscholarisines H-J, Indole Alkaloids from Alstonia scholaris: Structural Evaluation and Bioinspired Synthesis of Alstoscholarisine H.
• Authors of publication: Pan, Zhiqiang; Qin, Xu-Jie; Liu, Ya-Ping; Wu, Ting; Luo, Xiao-Dong; Xia, Chengfeng
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 654 - 657
• a: 8.0376 ± 0.0008 Å
• b: 12.1437 ± 0.0013 Å
• c: 32.747 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3196.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0601
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No