Information card for entry 4111080

Structure parameters

• Chemical name: 3,3,7,7-Tetramethyl-1,5-dithia-3,7-disilocane
• Formula: C8 H20 S2 Si2
• Calculated formula: C8 H20 S2 Si2
• SMILES: S1C[Si](CSC[Si](C1)(C)C)(C)C
• 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: 6.6704 ± 0.0005 Å
• b: 9.8045 ± 0.0007 Å
• c: 10.894 ± 0.0007 Å
• α: 98.97 ± 0.001°
• β: 95.843 ± 0.001°
• γ: 106.35 ± 0.001°
• Cell volume: 667.27 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No