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Information card for entry 4130579
Preview
| Coordinates | 4130579.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H22 N2 Si |
|---|---|
| Calculated formula | C24 H22 N2 Si |
| SMILES | [SiH](c1cn(c2c1cccc2)C)(c1cn(c2c1cccc2)C)c1ccccc1 |
| Title of publication | Brønsted Acid-Promoted Formation of Stabilized Silylium Ions for Catalytic Friedel-Crafts C-H Silylation. |
| Authors of publication | Chen, Qing-An; Klare, Hendrik F. T.; Oestreich, Martin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 25 |
| Pages of publication | 7868 - 7871 |
| a | 9.0894 ± 0.0003 Å |
| b | 11.2642 ± 0.0004 Å |
| c | 20.8038 ± 0.0007 Å |
| α | 95.61 ± 0.003° |
| β | 92.724 ± 0.003° |
| γ | 107.775 ± 0.003° |
| Cell volume | 2011.86 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4130579.cif |
| 240979 | 2019-11-25 | cif/ Adding structures of 4130579 via cif-deposit CGI script. |
4130579.cif |
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Users of the data should acknowledge the original authors of the
structural data.