Information card for entry 4111081

Structure parameters

• Chemical name: 5,5-Bis-trimethylsilyl-1,3,5-dithiasiletane
• Formula: C9 H24 S2 Si3
• Calculated formula: C9 H24 S2 Si3
• SMILES: S1C[Si]([Si](C)(C)C)([Si](C)(C)C)CSC1
• Title of publication: Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications
• Authors of publication: Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 14949 - 14961
• a: 13.8814 ± 0.0008 Å
• b: 9.1545 ± 0.0005 Å
• c: 12.5777 ± 0.0007 Å
• α: 90°
• β: 93.045 ± 0.001°
• γ: 90°
• Cell volume: 1596.08 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No