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Information card for entry 1529447
Preview
| Coordinates | 1529447.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H40 O9 |
|---|---|
| Calculated formula | C35 H40 O9 |
| SMILES | O(C(=O)/C=C/c1ccccc1)[C@@H]1[C@@]2([C@@H](OC(=O)C)[C@@H](OC(=O)c3ccccc3)C[C@H]([C@@]32OC([C@H](C1)C3)(C)C)C)COC(=O)C |
| Title of publication | Natural β-Dihydroagarofuran-Type Sesquiterpenoids as Cognition-Enhancing and Neuroprotective Agents from Medicinal Plants of the Genus Celastrus. |
| Authors of publication | Ning, Ruonan; Lei, Yun; Liu, Shuangzhu; Wang, Huan; Zhang, Rujun; Wang, Wei; Zhu, Yingdong; Zhang, Haiyan; Zhao, Weimin |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 9 |
| Pages of publication | 2175 - 2186 |
| a | 9.1983 ± 0.0002 Å |
| b | 18.6272 ± 0.0004 Å |
| c | 18.7098 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3205.71 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529447.cif |
| 160547 | 2015-10-06 | cif/ Updating files of 1529447 Original log message: Adding full bibliography for 1529447.cif. |
1529447.cif |
| 153631 | 2015-08-25 | cif/ Adding structures of 1529447 via cif-deposit CGI script. |
1529447.cif |
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Users of the data should acknowledge the original authors of the
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