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Information card for entry 1557802
Preview
| Coordinates | 1557802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 O6 |
|---|---|
| Calculated formula | C15 H16 O6 |
| SMILES | c1(O)cccc2c1C(=O)[C@]1([C@H](C=C([C@H](O)[C@@]1(O2)C)C)O)O |
| Title of publication | Bioactive Polyhydroxanthones from Penicillium purpurogenum |
| Authors of publication | Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 7.01084 ± 0.00018 Å |
| b | 10.9717 ± 0.0006 Å |
| c | 17.1758 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1321.18 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250809 (current) | 2020-04-16 | cif/ Adding structures of 1557802 via cif-deposit CGI script. |
1557802.cif |
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