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Information card for entry 1553384
Preview
| Coordinates | 1553384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 O5 |
|---|---|
| Calculated formula | C20 H32 O5 |
| SMILES | O=C1C[C@@]2([C@@H](C([C@@H]1O)(C)C)CC=C1[C@H]2[C@@H](O)[C@@H](O)[C@](C1)(C=C)C)C.O |
| Title of publication | Phytotoxic ent-Isopimarane-Type Diterpenoids from Euphorbia hylonoma. |
| Authors of publication | Wei, Wen-Jun; Song, Qiu-Yan; Zheng, Zai-Qin; Yao, Xiaojun; Li, Ya; Gao, Kun |
| Journal of publication | Journal of natural products |
| Year of publication | 2018 |
| Journal volume | 81 |
| Journal issue | 11 |
| Pages of publication | 2381 - 2391 |
| a | 11.0078 ± 0.0009 Å |
| b | 6.8749 ± 0.0008 Å |
| c | 12.6547 ± 0.0012 Å |
| α | 90° |
| β | 98.677 ± 0.008° |
| γ | 90° |
| Cell volume | 946.72 ± 0.16 Å3 |
| Cell temperature | 296.56 ± 0.1 K |
| Ambient diffraction temperature | 296.56 ± 0.1 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 | 0.1126 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234207 (current) | 2019-11-23 | cif/ Adding structures of 1553384 via cif-deposit CGI script. |
1553384.cif |
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Users of the data should acknowledge the original authors of the
structural data.