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Information card for entry 1557800
Preview
| Coordinates | 1557800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H38 O19 |
|---|---|
| Calculated formula | C39 H38 O19 |
| SMILES | c1(c(ccc2c1C(=O)C1=C([C@@H]3[C@@]([C@@H]([C@]1(C)O2)OC(=O)CCC(=O)O)(C)O3)O)c1c(c2C(=O)C3=C([C@@H]4[C@@]([C@@H]([C@]3(C)Oc2cc1)OC(=O)CCC(=O)O)(C)O4)O)O)O.CO |
| 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 | 10.25093 ± 0.00013 Å |
| b | 14.51735 ± 0.00019 Å |
| c | 12.5428 ± 0.00019 Å |
| α | 90° |
| β | 102.897 ± 0.0014° |
| γ | 90° |
| Cell volume | 1819.49 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0355 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250807 (current) | 2020-04-16 | cif/ Adding structures of 1557800 via cif-deposit CGI script. |
1557800.cif |
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Users of the data should acknowledge the original authors of the
structural data.