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Information card for entry 1557188
Preview
| Coordinates | 1557188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 O3 |
|---|---|
| Calculated formula | C16 H18 O3 |
| SMILES | o1c2c(c(c3c(c2OC)C=C[C@H](O)[C@@H]3C)C)c(c1)C |
| Title of publication | Modified Eremophilanes from Parasenecio hastatus and Their Neuroprotective Activities |
| Authors of publication | Liu, Tingting; Wu, Haibo; Zhang, Jing; Deng, Wenjie; Yang, Luowenlei |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 8.7529 ± 0.0005 Å |
| b | 5.1376 ± 0.0003 Å |
| c | 14.4614 ± 0.0008 Å |
| α | 90° |
| β | 104.921 ± 0.006° |
| γ | 90° |
| Cell volume | 628.39 ± 0.06 Å3 |
| Cell temperature | 106.8 K |
| Ambient diffraction temperature | 106.8 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 | 0.0326 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247356 (current) | 2020-01-30 | cif/ Adding structures of 1557188 via cif-deposit CGI script. |
1557188.cif |
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Users of the data should acknowledge the original authors of the
structural data.