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Information card for entry 1567529
Preview
| Coordinates | 1567529.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 F6 N2 |
|---|---|
| Calculated formula | C22 H18 F6 N2 |
| Title of publication | Organocopper(ii) complexes: new catalysts for carbon–carbon bond formation via electrochemical atom transfer radical addition (eATRA) |
| Authors of publication | Gonzálvez, Miguel A.; Su, Chuyi; Williams, Craig M.; Bernhardt, Paul V. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 10.666 ± 0.0011 Å |
| b | 12.0851 ± 0.0011 Å |
| c | 8.0892 ± 0.0009 Å |
| α | 90° |
| β | 108.741 ± 0.012° |
| γ | 90° |
| Cell volume | 987.41 ± 0.19 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0478 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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 |
|---|---|---|---|
| 277414 (current) | 2022-08-27 | cif/ Adding structures of 1567526, 1567527, 1567528, 1567529, 1567530, 1567531 via cif-deposit CGI script. |
1567529.cif |
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Users of the data should acknowledge the original authors of the
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