Information card for entry 7130209

Structure parameters

• Formula: C22 H22 S2 Si0.25
• Calculated formula: C22 H23 S Si
• Title of publication: Enantioselective synthesis of acyclic monohydrosilanes by steric hindrance assisted C–H silylation
• Authors of publication: Mu, Delong; Pan, Shuqiong; Wang, Xiaoyu; Liao, Xiaoyun; Huang, Yong; Chen, Jiean
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.2148 ± 0.0001 Å
• b: 7.6293 ± 0.0002 Å
• c: 38.5427 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1827.49 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No