Information card for entry 1567670

Structure parameters

• Formula: C58 H44 F0.5 N16 O4.5 S5
• Calculated formula: C60.5 H10 F4 N8 O2 S5
• Title of publication: Asymmetric side-chain substitution enables a 3D network acceptor with hydrogen bond assisted crystal packing and enhanced electronic coupling for efficient organic solar cells
• Authors of publication: Luo, Zhenghui; Gao, Yuan; Lai, Hanjian; Li, Yuxiang; Wu, Ziang; Chen, Zhanxiang; Sun, Rui; Ren, Jiaqi; Zhang, Cai’e; He, Feng; Woo, HanYoung; Min, Jie; Yang, Chuluo
• Journal of publication: Energy & Environmental Science
• Year of publication: 2022
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 4601 - 4611
• a: 13.457 ± 0.002 Å
• b: 23.14 ± 0.004 Å
• c: 30.127 ± 0.005 Å
• α: 70.475 ± 0.007°
• β: 86.756 ± 0.007°
• γ: 80.476 ± 0.007°
• Cell volume: 8720 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2085
• Residual factor for significantly intense reflections: 0.1764
• Weighted residual factors for significantly intense reflections: 0.4153
• Weighted residual factors for all reflections included in the refinement: 0.448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No