Information card for entry 4024241

Structure parameters

• Formula: C22 H22 S6 Si2
• Calculated formula: C22 H22 S6 Si2
• SMILES: s1c([Si](C)(C)C)cc2c3c(csc3sc12)c1csc2sc3sc([Si](C)(C)C)cc3c12
• Title of publication: Syntheses and Crystal Structures of Fused Thiophenes: [7]Helicene and Double Helicene, a D2-Symmetric Dimer of 3,3'-Bis(dithieno[2,3-b:3',2'-d]thiophene)
• Authors of publication: Chunli Li; Jianwu Shi; Li Xu; Yangguang Wang; Yanxiang Cheng; Hua Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 408 - 411
• a: 11.4964 ± 0.0016 Å
• b: 14.345 ± 0.002 Å
• c: 15.846 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2613.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No