Information card for entry 1564073

Structure parameters

• Formula: C80 H74 F4 N8 O2 S3
• Calculated formula: C80 H74 F4 N8 O2 S3
• Title of publication: Medium Band-Gap Non-fullerene Acceptors Based on Benzothiophene Donor Moiety Enabling High-Performance Indoor Organic Photovoltaics
• Authors of publication: Li, Xiaojun; Luo, Siwei; sun, huiliang; Liu, Tao; Sung, Herman H-Y.; Yu, Han; Xiao, Yiqun; Bai, Fujin; Pan, Mingao; Lu, Xinhui; Williams, Ian Duncan; Guo, Xugang; Li, Yongfang; Yan, He
• Journal of publication: Energy & Environmental Science
• Year of publication: 2021
• a: 9.93013 ± 0.00009 Å
• b: 33.0819 ± 0.0003 Å
• c: 23.3061 ± 0.0003 Å
• α: 90°
• β: 94.7559 ± 0.001°
• γ: 90°
• Cell volume: 7629.87 ± 0.14 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No