Information card for entry 7236711

Structure parameters

• Common name: N-hexyl dph-TIIG
• Chemical name: N,N-Dihexyl diphenylthienoisoindigo
• Formula: C36 H38 N2 O2 S2
• Calculated formula: C36 H38 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: 4.99713 ± 0.00013 Å
• b: 10.7672 ± 0.0003 Å
• c: 14.6977 ± 0.0004 Å
• α: 102.009 ± 0.0017°
• β: 92.7147 ± 0.0016°
• γ: 101.117 ± 0.0016°
• Cell volume: 755.83 ± 0.04 ų
• Cell temperature: 171 K
• Ambient diffraction temperature: 171 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 significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.2364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No