Information card for entry 1505298

Structure parameters

• Common name: beta(T2-T2)
• Chemical name: 3,3'-bi(thieno[3,2-b]thiophene)
• Formula: C12 H6 S4
• Calculated formula: C12 H6 S4
• SMILES: s1ccc2scc(c12)c1csc2c1scc2
• Title of publication: Planar beta-linked oligothiophenes based on thieno[3,2-b]thiophene and dithieno[3,2-b:2',3'-d]thiophene fused units.
• Authors of publication: San Miguel, Lidaris; Porter, 3rd, William W; Matzger, Adam J.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1005 - 1008
• a: 20.566 ± 0.004 Å
• b: 8.9517 ± 0.0019 Å
• c: 12.707 ± 0.003 Å
• α: 90°
• β: 105.591 ± 0.014°
• γ: 90°
• Cell volume: 2253.3 ± 0.9 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No