Information card for entry 1542762

Structure parameters

• Formula: C20 H31 N3 O
• Calculated formula: C20 H31 N3 O
• SMILES: O=C1N2[C@H]3N4[C@H](N5CCCC[C@H]5[C@@H]3CCC2)CC[C@H]2[C@H]4[C@@H]1CCC2
• Title of publication: Myritonines A-C, Alkaloids from Myrioneuron tonkinensis Based on a Novel Hexacyclic Skeleton.
• Authors of publication: Li, Xiao-Hui; Zhang, Yu; Zhang, Jia-Hui; Li, Xiao-Nian; Cao, Ming-Ming; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Hao, Xiao-Jiang
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 4
• Pages of publication: 1203 - 1207
• a: 5.3218 ± 0.0004 Å
• b: 14.7425 ± 0.0008 Å
• c: 21.8252 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1712.33 ± 0.19 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: 0.0922
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No