Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557205
Preview
| Coordinates | 1557205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H28 O8 |
|---|---|
| Calculated formula | C23 H28 O8 |
| SMILES | O([C@@H]1C2=C([C@]3(C(=O)O[C@H](c4cocc4)C3)[C@@H](C1)C)CCC[C@@]2(C(=O)OC)CO)C(=O)C |
| 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 | 7.9019 ± 0.0001 Å |
| b | 10.2955 ± 0.0001 Å |
| c | 25.9952 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2114.81 ± 0.05 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 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 | 0.0368 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| 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 |
|---|---|---|---|
| 247420 (current) | 2020-02-01 | cif/ Adding structures of 1557205 via cif-deposit CGI script. |
1557205.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.