Information card for entry 4024239

Structure parameters

• Formula: C22 H20 S7 Si2
• Calculated formula: C22 H20 S7 Si2
• SMILES: s1c([Si](C)(C)C)cc2c1sc1sc3sc4sc5sc6sc([Si](C)(C)C)cc6c5c4c3c21
• 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: 7.964 ± 0.004 Å
• b: 11.56 ± 0.005 Å
• c: 16.232 ± 0.007 Å
• α: 73.108 ± 0.008°
• β: 81.205 ± 0.009°
• γ: 72.258 ± 0.008°
• Cell volume: 1358.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No