Information card for entry 7236709

Structure parameters

• Common name: TIIG
• Chemical name: Thienoisoindigo
• Formula: C12 H6 N2 O2 S2
• Calculated formula: C12 H6 N2 O2 S2
• Title of publication: N-Unsubstituted thienoisoindigos: preparation, molecular packing and ambipolar organic field-effect transistors
• Authors of publication: Yoo, Dongho; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Hikima, Takaaki; Matsumoto, Hidetoshi; Mori, Takehiko
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 2509
• a: 8.23564 ± 0.00015 Å
• b: 4.76654 ± 0.00009 Å
• c: 14.1245 ± 0.0003 Å
• α: 90°
• β: 96.7481 ± 0.0007°
• γ: 90°
• Cell volume: 550.623 ± 0.019 ų
• Cell temperature: 171 K
• Ambient diffraction temperature: 171 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No