Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7157473
Preview
| Coordinates | 7157473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 O3 S |
|---|---|
| Calculated formula | C18 H18 O3 S |
| Title of publication | Copper-catalyzed diastereoselective hydrothioetherification of oxa(aza)benzonorbornadienes. |
| Authors of publication | Lin, Qifu; Yao, Yongqi; Yang, Wen; Tan, Yun; Chen, Shuqi; Chen, Donghan; Yang, Dingqiao |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 18 |
| Pages of publication | 3575 - 3584 |
| a | 5.5466 ± 0.0001 Å |
| b | 9.9811 ± 0.0002 Å |
| c | 27.5422 ± 0.0005 Å |
| α | 90° |
| β | 91.085 ± 0.002° |
| γ | 90° |
| Cell volume | 1524.5 ± 0.05 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| 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 |
|---|---|---|---|
| 252922 (current) | 2020-06-05 | cif/ Updating files of 7157473 Original log message: Adding full bibliography for 7157473.cif. |
7157473.cif |
| 250970 | 2020-04-21 | cif/ Adding structures of 7157473 via cif-deposit CGI script. |
7157473.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.