Information card for entry 7235751

Structure parameters

• Chemical name: 5,10-di(butyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene
• Formula: C22 H20 O2 S4
• Calculated formula: C22 H20 O2 S4
• Title of publication: Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells
• Authors of publication: Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 37
• Pages of publication: 15316
• a: 8.451 ± 0.006 Å
• b: 9.412 ± 0.007 Å
• c: 13.827 ± 0.01 Å
• α: 90°
• β: 106.097 ± 0.006°
• γ: 90°
• Cell volume: 1056.7 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No