Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518787
Preview
| Coordinates | 4518787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 B F2 N |
|---|---|
| Calculated formula | C18 H14 B F2 N |
| Title of publication | Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation |
| Authors of publication | Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 7339 - 7349 |
| a | 13.347 ± 0.003 Å |
| b | 7.9177 ± 0.0016 Å |
| c | 13.683 ± 0.003 Å |
| α | 90° |
| β | 91.98 ± 0.002° |
| γ | 90° |
| Cell volume | 1445.1 ± 0.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266959 (current) | 2021-07-04 | cif/ Updating files of 4518787, 4518788, 4518789, 4518790 Original log message: Adding full bibliography for 4518787--4518790.cif. |
4518787.cif |
| 266307 | 2021-06-10 | cif/ Adding structures of 4518787 via cif-deposit CGI script. |
4518787.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.