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Information card for entry 1557888
Preview
| Coordinates | 1557888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H19 Cl O6 |
|---|---|
| Calculated formula | C16 H19 Cl O6 |
| SMILES | C[C@@H]1[C@H](/C=C/CC/C=C/c2c(c(cc(c2C(=O)O1)O)O)Cl)O.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 | 8.6811 ± 0.0003 Å |
| b | 9.5462 ± 0.0002 Å |
| c | 10.951 ± 0.0004 Å |
| α | 69.576 ± 0.003° |
| β | 84.021 ± 0.003° |
| γ | 68.822 ± 0.003° |
| Cell volume | 792.79 ± 0.05 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0252 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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 |
|---|---|---|---|
| 251103 (current) | 2020-04-23 | cif/ Adding structures of 1557888 via cif-deposit CGI script. |
1557888.cif |
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Users of the data should acknowledge the original authors of the
structural data.