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Information card for entry 4515713
Preview
| Coordinates | 4515713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H21 N Si |
|---|---|
| Calculated formula | C22 H21 N Si |
| SMILES | [SiH](c1cn(C)c2cccc(c12)C)(c1ccccc1)c1ccccc1 |
| Title of publication | Switchable C–H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair |
| Authors of publication | Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 9 |
| Pages of publication | 8765 |
| a | 9.3329 ± 0.0006 Å |
| b | 10.0874 ± 0.0006 Å |
| c | 11.22 ± 0.0007 Å |
| α | 67.672 ± 0.001° |
| β | 88.245 ± 0.001° |
| γ | 65.949 ± 0.001° |
| Cell volume | 882.58 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0417 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4515713.cif |
| 225845 | 2019-11-10 | cif/ Adding structures of 4515713 via cif-deposit CGI script. |
4515713.cif |
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Users of the data should acknowledge the original authors of the
structural data.