Information card for entry 4110301

Structure parameters

• Common name: BTBT-C12
• Chemical name: BTBT-C12
• Formula: C38 H56 S2
• Calculated formula: C38 H56 S2
• SMILES: c12cc(CCCCCCCCCCCC)ccc2c2c(s1)c1c(cc(cc1)CCCCCCCCCCCC)s2
• Title of publication: Highly Soluble [1]Benzothieno[3,2-b]benzothiophene (BTBT) Derivatives for High-Performance, Solution-Processed Organic Field-Effect Transistors
• Authors of publication: Hideaki Ebata; Takafumi Izawa; Eigo Miyazaki; Kazuo Takimiya; Masaaki Ikeda; Hirokazu Kuwabara; Tatsuto Yui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15732 - 15733
• a: 5.864 ± 0.005 Å
• b: 7.74 ± 0.007 Å
• c: 37.91 ± 0.03 Å
• α: 90 ± 0.003°
• β: 90.589 ± 0.003°
• γ: 90 ± 0.003°
• Cell volume: 1721 ± 3 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 3
• 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: 0.0957
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No