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Information card for entry 1557801
Preview
| Coordinates | 1557801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H19 O6.5 |
|---|---|
| Calculated formula | C15 H19 O6.5 |
| SMILES | O[C@@]12C(=O)c3c(O[C@]2(C)[C@@H](O)[C@@H](C[C@H]1O)C)cccc3O.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 | 8.8976 ± 0.0002 Å |
| b | 13.2445 ± 0.0004 Å |
| c | 11.7818 ± 0.0003 Å |
| α | 90° |
| β | 90.183 ± 0.002° |
| γ | 90° |
| Cell volume | 1388.41 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0968 |
| Residual factor for significantly intense reflections | 0.0943 |
| Weighted residual factors for significantly intense reflections | 0.2274 |
| Weighted residual factors for all reflections included in the refinement | 0.2289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276143 (current) | 2022-06-22 | cif/1 Fixing Z values and formulae |
1557801.cif |
| 250808 | 2020-04-16 | cif/ Adding structures of 1557801 via cif-deposit CGI script. |
1557801.cif |
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Users of the data should acknowledge the original authors of the
structural data.