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Information card for entry 1557886
Preview
| Coordinates | 1557886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 Cl O6 |
|---|---|
| Calculated formula | C18 H21 Cl O6 |
| SMILES | C[C@@H]1C[C@H](/C=C\CCCC(=O)Cc2c(c(cc(c2C(=O)O1)O)O)Cl)O |
| 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 | 6.6956 ± 0.0002 Å |
| b | 11.5295 ± 0.0003 Å |
| c | 11.5446 ± 0.0003 Å |
| α | 90° |
| β | 90.49 ± 0.001° |
| γ | 90° |
| Cell volume | 891.17 ± 0.04 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 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 | 0.0533 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.177 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251101 (current) | 2020-04-23 | cif/ Adding structures of 1557886 via cif-deposit CGI script. |
1557886.cif |
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