Information card for entry 4068640

Structure parameters

• Formula: C20 H36 S2 Si4
• Calculated formula: C20 H36 S2 Si4
• SMILES: c12c(sc(c1c1c2c(sc1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: “One-Pot” Reaction Involving Ring Formation of Silole, Thiophene Ring-Opening Alkynylation, and S−S Coupling
• Authors of publication: Wu, Wei; Xu, Li; Shi, Jianwu; Qin, Xiling; Wang, Hua
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1961
• a: 11.243 ± 0.004 Å
• b: 12.036 ± 0.004 Å
• c: 20.389 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2759.1 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No