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Information card for entry 4034808
Preview
| Coordinates | 4034808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H24 O2 |
|---|---|
| Calculated formula | C15 H24 O2 |
| SMILES | O[C@]12[C@H](C)CC[C@H]([C@@H]1C(=O)C(=CC2)C)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 | 9.5531 ± 0.0019 Å |
| b | 10.421 ± 0.002 Å |
| c | 13.525 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1346.5 ± 0.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226328 (current) | 2019-11-11 | cif/ Adding structures of 4034808 via cif-deposit CGI script. |
4034808.cif |
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Users of the data should acknowledge the original authors of the
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