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Information card for entry 4034809
Preview
| Coordinates | 4034809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H23 N O4 |
|---|---|
| Calculated formula | C14 H23 N O4 |
| SMILES | O[C@]12[C@H](C)CC[C@H]([C@@H]1C(=O)CC[C@H]2N(=O)=O)C(C)C |
| Title of publication | Total Syntheses of a Family of Cadinane Sesquiterpenes. |
| Authors of publication | Bi, Xin; Xu, Wenbo; Yao, Yanmin; Zhou, Lili; Liang, Guangxin |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 10 |
| Pages of publication | 5825 - 5828 |
| a | 9.3072 ± 0.0019 Å |
| b | 11.839 ± 0.002 Å |
| c | 13.106 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1444.1 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.052 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226329 (current) | 2019-11-11 | cif/ Adding structures of 4034809 via cif-deposit CGI script. |
4034809.cif |
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