Information card for entry 1553285

Structure parameters

• Formula: C16 H24.6667 N2 O1.3333
• Calculated formula: C16 H24 N2 O1.33333
• SMILES: O=CC1=CN2[C@@H]3N(CCCC3)C[C@H]3[C@H]2[C@@H](CCC3)C1.O
• Title of publication: Alkaloids with Different Carbon Units from Myrioneuron faberi.
• Authors of publication: Cao, Ming-Ming; Zhang, Yu; Huang, Sheng-Dian; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Yuan, Chun-Mao; Chen, Duo-Zhi; Li, Shun-Lin; He, Hong-Ping; Hao, Xiao-Jiang
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 11
• Pages of publication: 2609 - 2616
• a: 9.7135 ± 0.0003 Å
• b: 13.9213 ± 0.0004 Å
• c: 31.7069 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4287.6 ± 0.2 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: 0.0452
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No