Information card for entry 7235753

Structure parameters

• Chemical name: 5,10-di(dodecyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene
• Formula: C38 H54 O2 S4
• Calculated formula: C38 H54 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: 7.507 ± 0.004 Å
• b: 9.506 ± 0.005 Å
• c: 13.155 ± 0.007 Å
• α: 81.79 ± 0.006°
• β: 76.147 ± 0.006°
• γ: 89.255 ± 0.006°
• Cell volume: 901.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.292
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No