Information card for entry 1564845

Structure parameters

• Formula: C90 H102 Cl2 F2 N8 O2 S5
• Calculated formula: C90 H102 Cl2 F2 N8 O2 S5
• Title of publication: Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency
• Authors of publication: Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang
• Journal of publication: Energy & Environmental Science
• Year of publication: 2022
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 320 - 333
• a: 26.5046 ± 0.001 Å
• b: 23.0448 ± 0.0011 Å
• c: 31.2654 ± 0.0018 Å
• α: 90°
• β: 107.646 ± 0.005°
• γ: 90°
• Cell volume: 18198.1 ± 1.6 ų
• Cell temperature: 99.97 ± 0.12 K
• Ambient diffraction temperature: 99.97 ± 0.12 K
• Number of distinct elements: 7
• 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: 0.214
• Residual factor for significantly intense reflections: 0.1481
• Weighted residual factors for significantly intense reflections: 0.3777
• Weighted residual factors for all reflections included in the refinement: 0.4448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No