Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1546385
Preview
| Coordinates | 1546385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H16 B2 F8 K2 N6 O2 |
|---|---|
| Calculated formula | C26 H16 B2 F8 K2 N6 O2 |
| 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 | 28.487 ± 0.004 Å |
| b | 12.3676 ± 0.0016 Å |
| c | 8.8225 ± 0.0011 Å |
| α | 90° |
| β | 94.05 ± 0.005° |
| γ | 90° |
| Cell volume | 3100.5 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0588 |
| Weighted residual factors for all reflections included in the refinement | 0.0611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
1546385.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.