Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4134751
Preview
| Coordinates | 4134751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H66 O3 Si3 |
|---|---|
| Calculated formula | C36 H66 O3 Si3 |
| Title of publication | Asymmetric Total Synthesis of (-)-Spirochensilide A. |
| Authors of publication | Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 24.6743 ± 0.0007 Å |
| b | 10.7666 ± 0.0003 Å |
| c | 14.6325 ± 0.0004 Å |
| α | 90° |
| β | 100.481 ± 0.003° |
| γ | 90° |
| Cell volume | 3822.39 ± 0.19 Å3 |
| Cell temperature | 179.99 ± 0.1 K |
| Ambient diffraction temperature | 179.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0623 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250936 (current) | 2020-04-20 | cif/ Adding structures of 4134751 via cif-deposit CGI script. |
4134751.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.