Information card for entry 4515739

Structure parameters

• 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 ų
• 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