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Information card for entry 1557187
Preview
| Coordinates | 1557187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 O6 |
|---|---|
| Calculated formula | C15 H16 O6 |
| SMILES | O1C(=O)c2cccc(C)c2[C@@]1(C1=C(C)[C@H](O)OC1=O)C.O.O1C(=O)c2cccc(C)c2[C@]1(C1=C(C)[C@@H](O)OC1=O)C.O |
| 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 | 6.20271 ± 0.00018 Å |
| b | 12.9748 ± 0.0004 Å |
| c | 17.3444 ± 0.0004 Å |
| α | 90° |
| β | 96.612 ± 0.002° |
| γ | 90° |
| Cell volume | 1386.57 ± 0.07 Å3 |
| Cell temperature | 108 ± 0.14 K |
| Ambient diffraction temperature | 108 ± 0.14 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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 |
|---|---|---|---|
| 247355 (current) | 2020-01-30 | cif/ Adding structures of 1557187 via cif-deposit CGI script. |
1557187.cif |
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Users of the data should acknowledge the original authors of the
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