Information card for entry 4027608

Structure parameters

• Common name: FT-TF
• Chemical name: 5,5'-bithieno[3,2-b]furan
• Formula: C12 H6 O2 S2
• Calculated formula: C12 H6 O2 S2
• SMILES: c1cc2sc(cc2o1)c1cc2c(cco2)s1
• Title of publication: Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes
• Authors of publication: John T. Henssler; Adam J. Matzger
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9298 - 9303
• a: 10.68236 ± 0.00019 Å
• b: 3.83987 ± 0.00007 Å
• c: 12.9514 ± 0.0002 Å
• α: 90°
• β: 111.159 ± 0.001°
• γ: 90°
• Cell volume: 495.436 ± 0.015 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No