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Information card for entry 1563315
Preview
| Coordinates | 1563315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H7 F O |
|---|---|
| Calculated formula | C9 H7 F O |
| SMILES | C1(=O)C(Cc2c1cccc2)F |
| Title of publication | Flow electrochemistry: a safe tool for fluorine chemistry |
| Authors of publication | Winterson, Bethan; Rennigholtz, Tim; Wirth, Thomas |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 7.8286 ± 0.0003 Å |
| b | 5.5513 ± 0.0002 Å |
| c | 16.0794 ± 0.0006 Å |
| α | 90° |
| β | 94.759 ± 0.004° |
| γ | 90° |
| Cell volume | 696.38 ± 0.05 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0456 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266371 (current) | 2021-06-11 | cif/ Adding structures of 1563314, 1563315, 1563316 via cif-deposit CGI script. |
1563315.cif |
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Users of the data should acknowledge the original authors of the
structural data.