Information card for entry 1576875

Structure parameters

• Formula: C101 H107 Cl3 F10 N8 O4 S4
• Calculated formula: C100 H106 F10 N8 O4 S4
• Title of publication: Synergistic Steric-Dipole Modulation via Stepwise Trifluoromethyl Substitution Enables Active-Layer Hierarchical Assembly and >20% Power Conversion Efficiency in Organic Photovoltaic Devices
• Authors of publication: Wang, Jie; Chen, Xin; Huo, Jingyi; Yang, Jiong; Li, Longyu; Shi, Wendi; Bian, Ruibin; Zhao, Wenkai; Long, Guankui; Yao, Zhaoyang; Li, Chenxi; Wan, Xiangjian; Chen, Yongsheng
• Journal of publication: Energy & Environmental Science
• Year of publication: 2026
• a: 12.8673 ± 0.0009 Å
• b: 16.3829 ± 0.0012 Å
• c: 23.2488 ± 0.0016 Å
• α: 99.692 ± 0.004°
• β: 98.243 ± 0.003°
• γ: 94.31 ± 0.004°
• Cell volume: 4756.2 ± 0.6 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.2113
• Residual factor for significantly intense reflections: 0.1742
• Weighted residual factors for significantly intense reflections: 0.3995
• Weighted residual factors for all reflections included in the refinement: 0.4216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No