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Information card for entry 1552502
Preview
| Coordinates | 1552502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 O6 |
|---|---|
| Calculated formula | C20 H18 O6 |
| SMILES | O.Oc1cccc2c1C(=O)[C@@H]1[C@@H](O)[C@H]2[C@H]2[C@@H]1CC(=O)c1c2cccc1O |
| Title of publication | Alternatone A, an Unusual Perylenequinone-Related Compound from a Soft-Coral-Derived Strain of the Fungus Alternaria alternata |
| Authors of publication | Zhao, Dong-Lin; Cao, Fei; Wang, Chao-Yi; Yang, Lu-Jia; Shi, Ting; Wang, Kai-Ling; Shao, Chang-Lun; Wang, Chang-Yun |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2019 |
| a | 7.7975 ± 0.0002 Å |
| b | 12.7667 ± 0.0003 Å |
| c | 16.0617 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1598.92 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0287 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220504 (current) | 2019-10-30 | cif/ Adding structures of 1552502 via cif-deposit CGI script. |
1552502.cif |
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