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Information card for entry 4082147
Preview
| Coordinates | 4082147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H25 B N2 Si |
|---|---|
| Calculated formula | C16 H25 B N2 Si |
| SMILES | [Si](/C(=C\c1ccccc1)[BH2]c1n(cc[n+]1C)C)(C)(C)C |
| Title of publication | Borenium-Catalyzed Hydroborations of Silyl-Substituted Alkenes and Alkynes with a Readily Available N-Heterocyclic Carbene–Borane |
| Authors of publication | Boussonnière, Anne; Pan, Xiangcheng; Geib, Steven J.; Curran, Dennis P. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 24 |
| Pages of publication | 7445 |
| a | 19.3 ± 0.003 Å |
| b | 7.7161 ± 0.001 Å |
| c | 12.3941 ± 0.0017 Å |
| α | 90° |
| β | 113.586 ± 0.006° |
| γ | 90° |
| Cell volume | 1691.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.1302 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.709 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4082147.cif |
| 178710 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/21. |
4082147.cif |
| 92190 | 2014-01-12 | cif/ Adding structures of 4082147 via cif-deposit CGI script. |
4082147.cif |
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Users of the data should acknowledge the original authors of the
structural data.