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Information card for entry 1557889
Preview
| Coordinates | 1557889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 Cl O7 |
|---|---|
| Calculated formula | C18 H21 Cl O7 |
| SMILES | O=C1O[C@H](C)CC[C@@H](C(=O)CCCC(=O)Cc2c1c(O)cc(O)c2Cl)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 | 8.9035 ± 0.0004 Å |
| b | 9.1206 ± 0.0004 Å |
| c | 11.7648 ± 0.0005 Å |
| α | 90° |
| β | 110.431 ± 0.002° |
| γ | 90° |
| Cell volume | 895.26 ± 0.07 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 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 | 0.0327 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251104 (current) | 2020-04-23 | cif/ Adding structures of 1557889 via cif-deposit CGI script. |
1557889.cif |
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