Information card for entry 7132220

Structure parameters

• Formula: C104 H120 Br F5 N8 O2 S4
• Calculated formula: C104 H120 Br F5 N8 O2 S4
• Title of publication: Central Units Hetero Di-Halogenation of Acceptors Enable Organic Solar Cells with 19% Efficiency
• Authors of publication: Liang, Huazhe; Chen, Hongbin; Zou, Yalu; Zhang, Yunxin; Guo, Yaxiao; Cao, Xiangjian; Bi, Xingqi; Yao, Zhaoyang; Wan, Xiangjian; Chen, Yongsheng
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 15.5041 ± 0.001 Å
• b: 17.1702 ± 0.0012 Å
• c: 19.2705 ± 0.0012 Å
• α: 96.957 ± 0.003°
• β: 102.674 ± 0.002°
• γ: 102.055 ± 0.003°
• Cell volume: 4819.1 ± 0.6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.203
• Residual factor for significantly intense reflections: 0.1454
• Weighted residual factors for significantly intense reflections: 0.3259
• Weighted residual factors for all reflections included in the refinement: 0.3514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No