Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518507
Preview
| Coordinates | 4518507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H36 B2 F2 O4 |
|---|---|
| Calculated formula | C30 H36 B2 F2 O4 |
| Title of publication | Borane-Catalyzed C(sp3)‒F Bond Arylation and Esterification Enabled by Transborylation |
| Authors of publication | Willcox, Dominic R.; Nichol, Gary S.; Thomas, Stephen P. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 3190 - 3197 |
| a | 18.1379 ± 0.0003 Å |
| b | 10.3208 ± 0.0002 Å |
| c | 14.2997 ± 0.0002 Å |
| α | 90° |
| β | 99.566 ± 0.002° |
| γ | 90° |
| Cell volume | 2639.65 ± 0.08 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262277 (current) | 2021-02-27 | cif/ Adding structures of 4518507 via cif-deposit CGI script. |
4518507.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.