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Information card for entry 1557885
Preview
| Coordinates | 1557885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20.5 H28 Cl O7 |
|---|---|
| Calculated formula | C20.5 H28 Cl O7 |
| SMILES | C[C@@H]1C/C=C/CCCC[C@@H](CC(=O)Cc2c(c(cc(c2C(=O)O1)O)O)Cl)O.CO.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 | 13.1677 ± 0.0004 Å |
| b | 15.9113 ± 0.0004 Å |
| c | 20.4458 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4283.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1315 |
| Residual factor for significantly intense reflections | 0.1123 |
| Weighted residual factors for significantly intense reflections | 0.2542 |
| Weighted residual factors for all reflections included in the refinement | 0.2631 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.334 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275856 (current) | 2022-06-07 | cif/1: Fixing Z values and formulae |
1557885.cif |
| 251100 | 2020-04-23 | cif/ Adding structures of 1557885 via cif-deposit CGI script. |
1557885.cif |
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Users of the data should acknowledge the original authors of the
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