Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557140
Preview
| Coordinates | 1557140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H30 O2 |
|---|---|
| Calculated formula | C19 H30 O2 |
| SMILES | O[C@]1(CCC[C@]2([C@H]1CC=C1[C@@H]3[C@@](CC[C@H]21)(C)CCO3)C)C |
| Title of publication | Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018. |
| Authors of publication | Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai |
| Journal of publication | Journal of natural products |
| Year of publication | 2020 |
| a | 21.2462 ± 0.0012 Å |
| b | 8.9711 ± 0.0005 Å |
| c | 8.8437 ± 0.0005 Å |
| α | 90° |
| β | 98.376 ± 0.001° |
| γ | 90° |
| Cell volume | 1667.65 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0289 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247158 (current) | 2020-01-24 | cif/ Adding structures of 1557140 via cif-deposit CGI script. |
1557140.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.