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Information card for entry 1557884
Preview
| Coordinates | 1557884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 Cl O8 |
|---|---|
| Calculated formula | C19 H21 Cl O8 |
| SMILES | Clc1c2CC(=O)/C=C/[C@H]3O[C@H]3[C@H]3O[C@@H]3C[C@H](OC(=O)c2c(O)cc1O)C.OC |
| 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 | 9.53453 ± 0.00007 Å |
| b | 5.13144 ± 0.00004 Å |
| c | 18.92992 ± 0.00013 Å |
| α | 90° |
| β | 95.899 ± 0.0007° |
| γ | 90° |
| Cell volume | 921.258 ± 0.012 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0234 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0624 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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 |
|---|---|---|---|
| 251099 (current) | 2020-04-23 | cif/ Adding structures of 1557884 via cif-deposit CGI script. |
1557884.cif |
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Users of the data should acknowledge the original authors of the
structural data.