Information card for entry 7238032

Structure parameters

• Formula: C72 H76 F4 N6 O4 S2
• Calculated formula: C72 H76 F4 N6 O4 S2
• Title of publication: Diketopyrrolopyrrole-based small molecules for solution-processed n-channel organic thin film transistors
• Authors of publication: Zhou, Qian; Jiang, Yu; Du, Tian; Wang, Zhongli; Liang, Ziqi; Han, Yang; Deng, Yunfeng; Tian, Hongkun; Geng, Yanhou
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 44
• Pages of publication: 13939
• a: 6.6078 ± 0.0007 Å
• b: 14.9482 ± 0.0015 Å
• c: 16.8745 ± 0.0018 Å
• α: 96.078 ± 0.004°
• β: 95.431 ± 0.005°
• γ: 102.535 ± 0.004°
• Cell volume: 1606 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.01 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2127
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No