Information card for entry 4516596

Structure parameters

• Formula: C34 H36 N6 O2 S2
• Calculated formula: C34 H36 N6 O2 S2
• SMILES: C1(=O)C(=C(C#N)C#N)c2c(cc(s2)c2cc3c(C(=C(C#N)C#N)C(=O)N3C[C@@H](CCCC)CC)s2)N1C[C@H](CCCC)CC
• Title of publication: n-Type Organic Field-Effect Transistors Based on Bisthienoisatin Derivatives
• Authors of publication: Yoo, Dongho; Luo, Xuyi; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi; Mei, Jianguo; Mori, Takehiko
• Journal of publication: ACS Applied Electronic Materials
• Year of publication: 2019
• Journal volume: 1
• Journal issue: 5
• Pages of publication: 764
• a: 31.6727 ± 0.0007 Å
• b: 6.81282 ± 0.00016 Å
• c: 15.1228 ± 0.0004 Å
• α: 90°
• β: 92.1448 ± 0.0014°
• γ: 90°
• Cell volume: 3260.92 ± 0.14 ų
• Cell temperature: 104 K
• Ambient diffraction temperature: 104 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2693
• Weighted residual factors for all reflections included in the refinement: 0.3079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No