Information card for entry 7106985

Structure parameters

• Chemical name: 2,2'-(2,2'-bithiophene-5,5'-diyl)bis(5-butyl-5H-thieno[2,3-c]pyrrole-4,6-dione
• Formula: C28 H24 N2 O4 S4
• Calculated formula: C28 H24 N2 O4 S4
• SMILES: c1(ccc(c2cc3c(s2)C(=O)N(C3=O)CCCC)s1)c1ccc(c2cc3c(C(=O)N(C3=O)CCCC)s2)s1
• Title of publication: Thienopyrrolyl dione end-capped oligothiophene ambipolar semiconductors for thin film- and light emitting transistors
• Authors of publication: Manuela Melucci; Massimo Zambianchi; Laura Favaretto; Massimo Gazzano; Alberto Zanelli; Magda Monari; Raffaella Capelli; Stefano Troisi; Stefano Toffanin; Michele Muccini
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11840
• a: 4.841 ± 0.004 Å
• b: 11.278 ± 0.007 Å
• c: 12.907 ± 0.009 Å
• α: 71.88 ± 0.009°
• β: 86.802 ± 0.01°
• γ: 86.926 ± 0.01°
• Cell volume: 668.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1569
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2337
• Weighted residual factors for all reflections included in the refinement: 0.2894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No