Information card for entry 4029870

Structure parameters

• Formula: C15 H25 N O2
• Calculated formula: C15 H25 N O2
• SMILES: O[C@@H]1O[C@H]2[C@@H]3[C@@H]4N(CCCC4)C[C@@]2(CC1)CCC3.O[C@H]1O[C@@H]2[C@H]3[C@H]4N(CCCC4)C[C@]2(CC1)CCC3
• Title of publication: Cyclohexane-Fused Octahydroquinolizine Alkaloids from Myrioneuron faberi with Activity against Hepatitis C Virus.
• Authors of publication: Cao, Ming-Ming; Zhang, Yu; Li, Xiao-Hui; Peng, Zong-Gen; Jiang, Jian-Dong; Gu, Yu-Cheng; Di, Ying-Tong; Li, Xiao-Nian; Chen, Duo-Zhi; Xia, Cheng-Feng; He, Hong-Ping; Li, Shun-Lin; Hao, Xiao-Jiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 17
• Pages of publication: 7945 - 7950
• a: 10.5931 ± 0.0005 Å
• b: 12.4309 ± 0.0006 Å
• c: 10.6076 ± 0.0005 Å
• α: 90°
• β: 105.109 ± 0.002°
• γ: 90°
• Cell volume: 1348.54 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No