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Information card for entry 1546393
Preview
| Coordinates | 1546393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 B2 F8 K2 N8 |
|---|---|
| Calculated formula | C20 B2 F8 K2 N8 |
| 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 | 9.8453 ± 0.0007 Å |
| b | 10.0627 ± 0.0007 Å |
| c | 13.4136 ± 0.001 Å |
| α | 87.223 ± 0.003° |
| β | 87.467 ± 0.003° |
| γ | 66.895 ± 0.002° |
| Cell volume | 1220.4 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1546393.cif |
| 198148 | 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. |
1546393.cif |
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Users of the data should acknowledge the original authors of the
structural data.