Information card for entry 4021850

Structure parameters

• Formula: C20 H20 S4 Si2
• Calculated formula: C20 H20 S4 Si2
• SMILES: s1cc2[Si](c3c(c4c([Si](c5c(c2c1)csc5)(C)C)csc4)csc3)(C)C
• Title of publication: Efficient Construction of Biaryls and Macrocyclic Cyclophanes via Electron-Transfer Oxidation of Lipshutz Cuprates
• Authors of publication: Yoshihiro Miyake; Mo Wu; M. Jalilur Rahman; Yoshiyuki Kuwatani; Masahiko Iyoda
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6110 - 6117
• a: 27.19 ± 0.003 Å
• b: 11.435 ± 0.001 Å
• c: 14.976 ± 0.002 Å
• α: 90°
• β: 113.257 ± 0.009°
• γ: 90°
• Cell volume: 4278 ± 1 ų
• Cell temperature: 153.2 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 significantly intense reflections: 0.0322
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No