Information card for entry 1567669

Structure parameters

• Formula: C74 H44 F4 N8 O3 S5
• Calculated formula: C74 H40 F4 N8 O3 S5
• SMILES: s1c2c(n(c3c2c2nsnc2c2c3n(c3c2sc2c3sc(c2c2cc(ccc2)C)/C=C/2C(=C(C#N)C#N)c3c(C2=O)cc(F)c(F)c3)C[C@@H](CC)CCCC)C[C@@H](CCCC)CC)c2sc(c(c12)c1cccc(c1)C)/C=C\1C(=C(C#N)C#N)c2cc(F)c(F)cc2C1=O.O
• 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: 23.7933 ± 0.0013 Å
• b: 57.27 ± 0.003 Å
• c: 13.4957 ± 0.0007 Å
• α: 90°
• β: 109.688 ± 0.002°
• γ: 90°
• Cell volume: 17314.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.1201
• Weighted residual factors for significantly intense reflections: 0.3265
• Weighted residual factors for all reflections included in the refinement: 0.3405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No