Information card for entry 1504183

Structure parameters

• Formula: C19 H24 N2 O3
• Calculated formula: C19 H24 N2 O3
• SMILES: N12C(=O)[C@H]3N(CCC[C@]3(C[C@H]2O)CC)CCC(=O)c2ccccc12
• Title of publication: Melohenines A and B, two unprecedented alkaloids from Melodinus henryi
• Authors of publication: Feng, Tao; Cai, Xiang-Hai; Li, Yan; Wang, Yuan-Yuan; Liu, Ya-Ping; Xie, Ming-Jin; Luo, Xiao-Dong
• Journal of publication: Organic Letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 4834 - 4837
• a: 7.9717 ± 0.0012 Å
• b: 12.2181 ± 0.0018 Å
• c: 17.265 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1681.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.75
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No