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Information card for entry 1557894
Preview
| Coordinates | 1557894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H25 Cl O6 |
|---|---|
| Calculated formula | C20 H25 Cl O6 |
| SMILES | Clc1c2CC(=O)C[C@@H](O)CCCC/C=C/C[C@H](OC(=O)c2c(O)cc1O)C |
| Title of publication | Resorcylic Acid Lactones from an Ilyonectria sp. |
| Authors of publication | Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 21.5791 ± 0.0002 Å |
| b | 21.5791 ± 0.0002 Å |
| c | 8.5971 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3466.96 ± 0.06 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.0276 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| 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 |
|---|---|---|---|
| 251109 (current) | 2020-04-23 | cif/ Adding structures of 1557894 via cif-deposit CGI script. |
1557894.cif |
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Users of the data should acknowledge the original authors of the
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