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Information card for entry 1559311
Preview
| Coordinates | 1559311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H30 O7 |
|---|---|
| Calculated formula | C20 H30 O7 |
| SMILES | O(C(=O)[C@H](CC)C)[C@@H]1[C@H]2OC(=O)C(=C)[C@@H]2C[C@@]2(O)O[C@@H](C[C@@]1(O)C)C[C@H]2C |
| 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 | 10.3067 ± 0.0002 Å |
| b | 10.8729 ± 0.0002 Å |
| c | 17.3336 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1942.47 ± 0.07 Å3 |
| Cell temperature | 100 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 | 0.0312 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258274 (current) | 2020-10-10 | cif/ Adding structures of 1559311 via cif-deposit CGI script. |
1559311.cif |
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Users of the data should acknowledge the original authors of the
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