Information card for entry 7236938

Structure parameters

• Chemical name: 4-(4-(4-(diphenylamino)phenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl)benzonitrile
• Formula: C30 H19 N5 S
• Calculated formula: C30 H19 N5 S
• Title of publication: Pyridal[2,1,3]thiadiazole as strong electron-withdrawing and less sterically-hindered acceptor for highly efficient donor‒acceptor type NIR materials
• Authors of publication: Jiang, Jianxia; Li, Xianglong; Hanif, Muddasir; Zhou, Jiadong; Hu, Dehua; Su, Shijian; Xie, Zengqi; Gao, Yu; Yang, Bing; Ma, Yuguang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 42
• Pages of publication: 11053
• a: 46.21 ± 0.02 Å
• b: 6.9886 ± 0.001 Å
• c: 24.593 ± 0.013 Å
• α: 90°
• β: 144.02 ± 0.11°
• γ: 90°
• Cell volume: 4666 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1467
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No