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Information card for entry 1559312
Preview
| Coordinates | 1559312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H30 O6 |
|---|---|
| Calculated formula | C20 H30 O6 |
| SMILES | O([C@@H]1[C@H]2OC(=O)C(=C)[C@@H]2CC(=O)[C@@H](CCC[C@@]1(O)C)C)C(=O)[C@H](C)CC |
| Title of publication | Cytotoxic Germacranolides from the Whole Plant of Carpesium minus |
| Authors of publication | Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 9.4133 ± 0.0002 Å |
| b | 12.7259 ± 0.0003 Å |
| c | 16.595 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1987.96 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0575 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.1437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258275 (current) | 2020-10-10 | cif/ Adding structures of 1559312 via cif-deposit CGI script. |
1559312.cif |
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