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Information card for entry 1558504
Preview
| Coordinates | 1558504.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H22 O3 |
|---|---|
| Calculated formula | C15 H22 O3 |
| SMILES | [C@@]1(CCC[C@]2([C@H]1CCC1=C2COC1=O)C)(C)CO |
| Title of publication | Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>. |
| Authors of publication | Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui |
| Journal of publication | Journal of natural products |
| Year of publication | 2020 |
| Journal volume | 83 |
| Journal issue | 7 |
| Pages of publication | 2200 - 2206 |
| a | 9.77217 ± 0.00005 Å |
| b | 9.81597 ± 0.00005 Å |
| c | 13.76057 ± 0.00008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1319.96 ± 0.012 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.0267 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1558504.cif |
| 254775 | 2020-08-04 | cif/ Updating files of 1558504, 1558505, 1558506 Original log message: Adding full bibliography for 1558504--1558506.cif. |
1558504.cif |
| 254030 | 2020-07-07 | cif/ Adding structures of 1558504 via cif-deposit CGI script. |
1558504.cif |
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Users of the data should acknowledge the original authors of the
structural data.