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Information card for entry 1563316
Preview
| Coordinates | 1563316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H9 F N2 O3 |
|---|---|
| Calculated formula | C10 H9 F N2 O3 |
| 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 | 10.131 ± 0.0006 Å |
| b | 6.6921 ± 0.0005 Å |
| c | 15.405 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1044.42 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.1433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
1563316.cif |
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Users of the data should acknowledge the original authors of the
structural data.