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Information card for entry 1555705
Preview
| Coordinates | 1555705.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H19 N O4 |
|---|---|
| Calculated formula | C16 H19 N O4 |
| SMILES | O=C1O[C@@]2([C@@H]3C[C@H]4OC(=O)[C@@]3(C[C@]32NCCC[C@H]43)C)C=C1 |
| Title of publication | Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum. |
| Authors of publication | Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 17 |
| Pages of publication | 4376 - 4379 |
| a | 7.8847 ± 0.0004 Å |
| b | 12.731 ± 0.0006 Å |
| c | 13.5189 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1357.03 ± 0.12 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.034 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239036 (current) | 2019-11-24 | cif/ Adding structures of 1555705 via cif-deposit CGI script. |
1555705.cif |
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Users of the data should acknowledge the original authors of the
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