Information card for entry 7235833

Structure parameters

• Chemical name: 5,6-difluorobenzo-2,1,3-thiadiazole
• Formula: C14 H6 F2 N2 S3
• Calculated formula: C14 H6 F2 N2 S3
• Title of publication: Polymorphisms and morphological studies of a difluorobenzothiadiazole conjugated copolymer with 7.8% polymer solar cell efficiency
• Authors of publication: Huang, Chi-Feng; Chang, Jen-Yun; Huang, Sin-Hong; Wu, Kuan-Yi; Jheng, Jyun-Fong; Chuang, Wei-Tsung; Hsu, Chain-Shu; Wang, Chien-Lung
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 3968
• a: 15.7727 ± 0.0009 Å
• b: 4.8184 ± 0.0003 Å
• c: 17.7825 ± 0.0008 Å
• α: 90°
• β: 104.765 ± 0.005°
• γ: 90°
• Cell volume: 1306.83 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0915
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No