Information card for entry 4068639

Structure parameters

• Formula: C38 H66 S4 Si8
• Calculated formula: C38 H66 S4 Si8
• SMILES: c1(sc(c2C(=C(SSC3=C(c4c(sc(c4[Si]3(C)C)[Si](C)(C)C)[Si](C)(C)C)C#C[Si](C)(C)C)[Si](C)(c12)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: 33.244 ± 0.009 Å
• b: 14.429 ± 0.004 Å
• c: 11.137 ± 0.003 Å
• α: 90°
• β: 92.509 ± 0.005°
• γ: 90°
• Cell volume: 5337 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No