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Information card for entry 7129694
Preview
| Coordinates | 7129694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H48.96 F10 P Pd |
|---|---|
| Calculated formula | C45 H49 F10 P Pd |
| Title of publication | Pd/Cu bimetallic catalysis to access highly fluorinated biaryls from aryl halides and fluorinated arenes |
| Authors of publication | Ponce-de-León, Jaime; Marcos-Ayuso, Guillermo; Casares, Juan A.; Espinet, Pablo |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 20.28 ± 0.0005 Å |
| b | 11.8689 ± 0.0003 Å |
| c | 17.7116 ± 0.0004 Å |
| α | 90° |
| β | 104.392 ± 0.002° |
| γ | 90° |
| Cell volume | 4129.42 ± 0.18 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 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 | 0.0837 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272887 (current) | 2022-02-10 | cif/ Adding structures of 7129693, 7129694, 7129695, 7129696 via cif-deposit CGI script. |
7129694.cif |
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Users of the data should acknowledge the original authors of the
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