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Information card for entry 1546389
Preview
| Coordinates | 1546389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H3 B F4 K N3 O |
|---|---|
| Calculated formula | C10 H3 B F4 K N3 O |
| 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 | 10.9629 ± 0.0009 Å |
| b | 8.0873 ± 0.0007 Å |
| c | 14.1771 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1256.95 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0483 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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. |
1546389.cif |
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Users of the data should acknowledge the original authors of the
structural data.