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Information card for entry 7121826
Preview
| Coordinates | 7121826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H59 B N4 |
|---|---|
| Calculated formula | C50 H59 B N4 |
| Title of publication | Cleavage of BN triple bonds by main group reagents. |
| Authors of publication | Winner, Lena; Hermann, Alexander; Bélanger-Chabot, Guillaume; González-Belman, Oscar F; Jiménez-Halla, J Oscar C; Kelch, Hauke; Braunschweig, Holger |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 59 |
| Pages of publication | 8210 - 8213 |
| a | 13.134 ± 0.005 Å |
| b | 16.944 ± 0.003 Å |
| c | 19.889 ± 0.005 Å |
| α | 79.28 ± 0.03° |
| β | 81.864 ± 0.015° |
| γ | 73.209 ± 0.015° |
| Cell volume | 4145 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1821 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.1467 |
| Weighted residual factors for all reflections included in the refinement | 0.1909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121826.cif |
| 228552 | 2019-11-17 | cif/ Updating files of 7121824, 7121825, 7121826 Original log message: Adding full bibliography for 7121824--7121826.cif. |
7121826.cif |
| 208281 | 2018-06-12 | cif/ Adding structures of 7121824, 7121825, 7121826 via cif-deposit CGI script. |
7121826.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.