Information card for entry 4516597

Structure parameters

• Formula: C30 H28 N6 O2 S2
• Calculated formula: C30 H28 N6 O2 S2
• SMILES: C1(=O)C(=C(C#N)C#N)c2c(cc(s2)c2cc3c(C(=C(C#N)C#N)C(=O)N3CCCCCC)s2)N1CCCCCC
• 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: 9.2227 ± 0.0003 Å
• b: 5.1146 ± 0.0002 Å
• c: 29.4199 ± 0.0012 Å
• α: 90°
• β: 99.1713 ± 0.0018°
• γ: 90°
• Cell volume: 1370.01 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2606
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No