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Information card for entry 1544723
Preview
Coordinates | 1544723.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H46.5 O12.25 |
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Calculated formula | C38 H44 O12 |
SMILES | O=C(O[C@@H]1[C@H]2[C@@H](O)[C@](OC(=O)C)(C[C@]2(O)C(=O)[C@H](/C=C/C([C@H](OC(=O)C)[C@H](O)[C@@H](OC(=O)c2ccccc2)C1=C)(C)C)C)C)c1ccccc1 |
Title of publication | Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity. |
Authors of publication | Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc |
Journal of publication | Journal of natural products |
Year of publication | 2016 |
Journal volume | 79 |
Journal issue | 11 |
Pages of publication | 2873 |
a | 41.529 ± 0.0014 Å |
b | 8.6149 ± 0.0003 Å |
c | 11.037 ± 0.007 Å |
α | 90° |
β | 100.788 ± 0.007° |
γ | 90° |
Cell volume | 3879 ± 2 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0823 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1169 |
Weighted residual factors for all reflections included in the refinement | 0.1512 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.