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Information card for entry 1557204
Preview
| Coordinates | 1557204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H26 O10 |
|---|---|
| Calculated formula | C24 H26 O10 |
| SMILES | O1C(=O)[C@]2(C3=C(C(C(=O)OC)([C@@H](OC(=O)C)CC3)C(=O)OC)C(=O)C[C@H]2C)C[C@H]1c1cocc1 |
| Title of publication | 19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius |
| Authors of publication | Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 7.77753 ± 0.00005 Å |
| b | 10.89287 ± 0.00006 Å |
| c | 25.97545 ± 0.00015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2200.63 ± 0.02 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0279 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0723 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
| 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 |
|---|---|---|---|
| 247419 (current) | 2020-02-01 | cif/ Adding structures of 1557204 via cif-deposit CGI script. |
1557204.cif |
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Users of the data should acknowledge the original authors of the
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