Information card for entry 7135048

Structure parameters

• Formula: C12 H20 O S Si2
• Calculated formula: C12 H20 O S Si2
• Title of publication: Synthesis of [1,3]-thiasilolanes <i>via</i> rare-earth-catalysed intramolecular α-C(sp³)-H silylation of alkyl sulphides with hydrosilanes.
• Authors of publication: An, Kun; Liu, Mengqing; Wang, Jingxia; Nishiura, Masayoshi; Cong, Xuefeng; Hou, Zhaomin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 88
• Pages of publication: 17181 - 17184
• a: 10.7711 ± 0.0005 Å
• b: 9.923 ± 0.0005 Å
• c: 15.3315 ± 0.0007 Å
• α: 90°
• β: 110.531 ± 0.003°
• γ: 90°
• Cell volume: 1534.57 ± 0.13 ų
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No