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Information card for entry 1553286
Preview
| Coordinates | 1553286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H26 N2 |
|---|---|
| Calculated formula | C15 H26 N2 |
| SMILES | N12[C@H]3[C@@H](CCC2)CCC[C@@H]3CN2[C@H]1CCCC2 |
| 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 | 9.1535 ± 0.0015 Å |
| b | 5.1702 ± 0.0009 Å |
| c | 14.568 ± 0.002 Å |
| α | 90° |
| β | 106.495 ± 0.002° |
| γ | 90° |
| Cell volume | 661.06 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0375 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1553286.cif |
| 234054 | 2019-11-23 | cif/ Adding structures of 1553286 via cif-deposit CGI script. |
1553286.cif |
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Users of the data should acknowledge the original authors of the
structural data.