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Information card for entry 1546392
Preview
| Coordinates | 1546392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H3 B F2 K N3 |
|---|---|
| Calculated formula | C9 H3 B F2 K N3 |
| Title of publication | Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates |
| Authors of publication | Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 11.1415 ± 0.0011 Å |
| b | 12.3048 ± 0.0012 Å |
| c | 7.4382 ± 0.0007 Å |
| α | 90° |
| β | 99.762 ± 0.003° |
| γ | 90° |
| Cell volume | 1004.97 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0414 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198148 (current) | 2017-06-27 | cif/ Adding structures of 1546384, 1546385, 1546386, 1546387, 1546388, 1546389, 1546390, 1546391, 1546392, 1546393, 1546394, 1546395, 1546396, 1546397, 1546398, 1546399, 1546400, 1546401 via cif-deposit CGI script. |
1546392.cif |
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Users of the data should acknowledge the original authors of the
structural data.