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Information card for entry 4515740
Preview
| Coordinates | 4515740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 N S Si |
|---|---|
| Calculated formula | C23 H21 N S Si |
| 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 | 10.304 ± 0.0007 Å |
| b | 17.9385 ± 0.0015 Å |
| c | 11.4674 ± 0.0009 Å |
| α | 90° |
| β | 107.757 ± 0.002° |
| γ | 90° |
| Cell volume | 2018.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.06 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225865 (current) | 2019-11-10 | cif/ Adding structures of 4515740 via cif-deposit CGI script. |
4515740.cif |
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Users of the data should acknowledge the original authors of the
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