Information card for entry 7132219

Structure parameters

• Formula: C104 H120 Cl F5 N8 O2 S4
• Calculated formula: C104 H120 Cl 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: 15.4718 ± 0.001 Å
• b: 16.9744 ± 0.0011 Å
• c: 19.3717 ± 0.0014 Å
• α: 97.639 ± 0.004°
• β: 102.085 ± 0.004°
• γ: 102.177 ± 0.003°
• Cell volume: 4778.6 ± 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: 0.2517
• Residual factor for significantly intense reflections: 0.1609
• Weighted residual factors for significantly intense reflections: 0.3633
• Weighted residual factors for all reflections included in the refinement: 0.4037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No