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Information card for entry 1552580
Preview
Coordinates | 1552580.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | euphoscopin A |
---|---|
Chemical name | euphoscopin A |
Formula | C31 H40 O8 |
Calculated formula | C31 H40 O8 |
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 |
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 | 8.8304 ± 0.0001 Å |
b | 11.799 ± 0.0001 Å |
c | 13.7879 ± 0.0001 Å |
α | 90° |
β | 92.011 ± 0.001° |
γ | 90° |
Cell volume | 1435.68 ± 0.02 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0331 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0849 |
Weighted residual factors for all reflections included in the refinement | 0.0857 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/1552580.html
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Users of the data should acknowledge the original authors of the
structural data.