Information card for entry 1576873

Structure parameters

• Formula: C99 H109 Cl3 F4 N8 O4 S4
• Calculated formula: C99 H109 Cl3 F4 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: 12.9602 ± 0.0006 Å
• b: 17.7674 ± 0.0012 Å
• c: 23.0842 ± 0.0011 Å
• α: 68.881 ± 0.004°
• β: 81.564 ± 0.003°
• γ: 71.711 ± 0.004°
• Cell volume: 4704.7 ± 0.5 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.2659
• Residual factor for significantly intense reflections: 0.2114
• Weighted residual factors for significantly intense reflections: 0.4676
• Weighted residual factors for all reflections included in the refinement: 0.5053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No