Information card for entry 4068641

Structure parameters

• Formula: C20 H36 Br2 S2 Si4
• Calculated formula: C20 H36 Br2 S2 Si4
• SMILES: Brc1c(c(sc1[Si](C)(C)C)[Si](C)(C)C)c1c(sc([Si](C)(C)C)c1Br)[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: 10.817 ± 0.006 Å
• b: 11.459 ± 0.006 Å
• c: 13.176 ± 0.007 Å
• α: 82.785 ± 0.009°
• β: 73.558 ± 0.009°
• γ: 77.448 ± 0.009°
• Cell volume: 1525.4 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No