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Information card for entry 1552582
Preview
| Coordinates | 1552582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Euphoscopoid F |
|---|---|
| Chemical name | Euphoscopoid F |
| Formula | C37 H41 Cl3 O8 |
| Calculated formula | C37 H41 Cl3 O8 |
| SMILES | O([C@H]1[C@H](C[C@@]2(OC(=O)C)[C@H]1/C=C(/[C@H](OC(=O)c1ccccc1)CC(=O)C(/C=C/[C@H](C2=O)C)(C)C)C)C)C(=O)c1ccccc1.ClC(Cl)Cl |
| Title of publication | Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity. |
| Authors of publication | Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying |
| Journal of publication | Journal of natural products |
| Year of publication | 2019 |
| Journal volume | 82 |
| Journal issue | 10 |
| Pages of publication | 2818 - 2827 |
| a | 9.3969 ± 0.0001 Å |
| b | 19.314 ± 0.0002 Å |
| c | 10.1452 ± 0.0001 Å |
| α | 90° |
| β | 101.754 ± 0.001° |
| γ | 90° |
| Cell volume | 1802.66 ± 0.03 Å3 |
| Cell temperature | 103 ± 6 K |
| Ambient diffraction temperature | 103 ± 6 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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 |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1552582.cif |
| 222103 | 2019-11-04 | cif/ Adding structures of 1552582 via cif-deposit CGI script. |
1552582.cif |
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Users of the data should acknowledge the original authors of the
structural data.