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Information card for entry 4515739
Preview
| Coordinates | 4515739.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 S Si |
|---|---|
| Calculated formula | C20 H20 S Si |
| SMILES | [SiH](CSc1ccc(cc1)C)(c1ccccc1)c1ccccc1 |
| Title of publication | Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes |
| Authors of publication | Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 9 |
| Pages of publication | 8027 |
| a | 9.7426 ± 0.0009 Å |
| b | 9.7458 ± 0.0008 Å |
| c | 18.818 ± 0.0014 Å |
| α | 90° |
| β | 90.465 ± 0.003° |
| γ | 90° |
| Cell volume | 1786.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225864 (current) | 2019-11-10 | cif/ Adding structures of 4515739 via cif-deposit CGI script. |
4515739.cif |
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