Information card for entry 1518132

Structure parameters

• Formula: C21 H26 N2 O3
• Calculated formula: C21 H26 N2 O3
• SMILES: O(C)C(=O)[C@@]12[C@@H]3[C@H]([C@@H](OC2)C)[C@H](n2c4c(c(c12)C)cccc4)N(CC3)C
• Title of publication: Indole alkaloids with new skeleton activating neural stem cells.
• Authors of publication: Yang, Xing-Wei; Yang, Cui-Ping; Jiang, Li-Ping; Qin, Xu-Jie; Liu, Ya-Ping; Shen, Qiu-Shuo; Chen, Yong-Bin; Luo, Xiao-Dong
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 5808 - 5811
• a: 10.5788 ± 0.001 Å
• b: 7.7312 ± 0.0007 Å
• c: 10.8099 ± 0.001 Å
• α: 90°
• β: 90.385 ± 0.001°
• γ: 90°
• Cell volume: 884.09 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No