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Information card for entry 4518508
Preview
| Coordinates | 4518508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H33 B2 F O2 |
|---|---|
| Calculated formula | C23 H33 B2 F O2 |
| 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 | 10.318 ± 0.0002 Å |
| b | 29.4659 ± 0.0008 Å |
| c | 6.7167 ± 0.0002 Å |
| α | 90° |
| β | 93.252 ± 0.002° |
| γ | 90° |
| Cell volume | 2038.78 ± 0.09 Å3 |
| Cell temperature | 120.01 ± 0.1 K |
| Ambient diffraction temperature | 120.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.146 |
| Weighted residual factors for all reflections included in the refinement | 0.1483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262278 (current) | 2021-02-27 | cif/ Adding structures of 4518508 via cif-deposit CGI script. |
4518508.cif |
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Users of the data should acknowledge the original authors of the
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