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Information card for entry 1557203
Preview
| Coordinates | 1557203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H26 O6 |
|---|---|
| Calculated formula | C21 H26 O6 |
| SMILES | O1C(=O)[C@]2(C3=C([C@@](C(=O)OC)(CCC3)C)[C@@H](O)C[C@H]2C)C[C@H]1c1ccoc1 |
| 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 | 8.0315 ± 0.0001 Å |
| b | 8.3527 ± 0.0002 Å |
| c | 27.8078 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1865.48 ± 0.06 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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 |
|---|---|---|---|
| 247418 (current) | 2020-02-01 | cif/ Adding structures of 1557203 via cif-deposit CGI script. |
1557203.cif |
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Users of the data should acknowledge the original authors of the
structural data.