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Information card for entry 7132068
Preview
| Coordinates | 7132068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H9 F8 N |
|---|---|
| Calculated formula | C17 H9 F8 N |
| SMILES | FC(F)(C(F)(F)C(F)(F)c1ccc(cc1)C#N)C(F)(F)c1ccccc1 |
| Title of publication | Difluoromethylene Insertion into Fluoroalkyl Copper Complexes |
| Authors of publication | Zhou, Yuyang; Doi, Ryohei; Ogoshi, Sensuke |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 22.915 ± 0.0017 Å |
| b | 5.08 ± 0.0003 Å |
| c | 27.5806 ± 0.0019 Å |
| α | 90° |
| β | 106.035 ± 0.007° |
| γ | 90° |
| Cell volume | 3085.7 ± 0.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0685 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1465 |
| Weighted residual factors for all reflections included in the refinement | 0.1598 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285908 (current) | 2023-08-31 | cif/ Adding structures of 7132066, 7132067, 7132068 via cif-deposit CGI script. |
7132068.cif |
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Users of the data should acknowledge the original authors of the
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