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Information card for entry 1552575
Preview
Coordinates | 1552575.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | epieuphoscopin A |
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Chemical name | epieuphoscopin A |
Formula | C32 H44 O9 |
Calculated formula | C32 H44 O9 |
SMILES | O([C@H]1[C@@H](C[C@@]2(OC(=O)C)[C@H]1/C=C(/[C@H](O)CC(=O)C(/C=C/[C@@H]([C@H]2OC(=O)C)C)(C)C)C)C)C(=O)c1ccccc1.OC |
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 | 8.2532 ± 0.0001 Å |
b | 9.8316 ± 0.0001 Å |
c | 37.9017 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3075.43 ± 0.06 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
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 | 0.0422 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1187 |
Weighted residual factors for all reflections included in the refinement | 0.1197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1552575.html
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Users of the data should acknowledge the original authors of the
structural data.