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Information card for entry 7129693
Preview
| Coordinates | 7129693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H3 F7 |
|---|---|
| Calculated formula | C12 H3 F7 |
| SMILES | Fc1c(c2c(F)c(F)ccc2)c(F)c(F)c(F)c1F |
| 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 | 7.359 ± 0.0009 Å |
| b | 7.5748 ± 0.0009 Å |
| c | 9.8836 ± 0.001 Å |
| α | 75.019 ± 0.009° |
| β | 79.707 ± 0.009° |
| γ | 78.279 ± 0.01° |
| Cell volume | 516.46 ± 0.11 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.116 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7129693.cif |
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Users of the data should acknowledge the original authors of the
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