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Information card for entry 4519378
Preview
| Coordinates | 4519378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 Bi F3 N |
|---|---|
| Calculated formula | C19 H21 Bi F3 N |
| SMILES | [Bi]12([N](Cc3c2cccc3)(C(C)(C)C)Cc2c1cccc2)C(F)(F)F |
| Title of publication | Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation |
| Authors of publication | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub |
| Journal of publication | ACS Catalysis |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 6 |
| Pages of publication | 3719 - 3730 |
| a | 12.9594 ± 0.0006 Å |
| b | 9.2852 ± 0.0005 Å |
| c | 14.7567 ± 0.0009 Å |
| α | 90° |
| β | 91.483 ± 0.003° |
| γ | 90° |
| Cell volume | 1775.09 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0432 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0519 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.