Information card for entry 1505300

Structure parameters

• Common name: beta(T3-T3)
• Chemical name: 3,3'-bis(dithieno[3,2-b:2',3'-d]thiophene)
• Formula: C16 H6 S6
• Calculated formula: C16 H6 S6
• SMILES: c1cc2c(s1)c1c(s2)c(cs1)c1csc2c1sc1c2scc1
• 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: 11.677 ± 0.003 Å
• b: 3.9584 ± 0.001 Å
• c: 16.868 ± 0.004 Å
• α: 90°
• β: 108.18 ± 0.017°
• γ: 90°
• Cell volume: 740.8 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No