Information card for entry 4003003

Structure parameters

• Formula: C28 H38 Cl0 N2 O0 S4
• Calculated formula: C28 H38 N2 S4
• Title of publication: Understanding of Imine Substitution in Wide-Bandgap Polymer Donor-Induced Efficiency Enhancement in All-Polymer Solar Cells
• Authors of publication: Cao, Zhixiong; Chen, Jiale; Liu, Shengjian; Qin, Minchao; Jia, Tao; Zhao, Jiaji; Li, Qingduan; Ying, Lei; Cai, Yue-Peng; Lu, Xinhui; Huang, Fei; Cao, Yong
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 8533
• a: 15.4911 ± 0.0009 Å
• b: 5.4136 ± 0.0003 Å
• c: 33.149 ± 0.003 Å
• α: 90°
• β: 97.184 ± 0.006°
• γ: 90°
• Cell volume: 2758.1 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0874
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No