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Information card for entry 4029870
Preview
Coordinates | 4029870.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H25 N O2 |
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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 Å3 |
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 |
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Users of the data should acknowledge the original authors of the
structural data.