Information card for entry 1567343

Structure parameters

• Formula: C104 H120 F6 N8 O2 S4
• Calculated formula: C104 H120 F6 N8 O2 S4
• Title of publication: Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells
• Authors of publication: Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng
• Journal of publication: Energy & Environmental Science
• Year of publication: 2022
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3519 - 3533
• a: 17.222 ± 0.004 Å
• b: 59.388 ± 0.013 Å
• c: 19.162 ± 0.005 Å
• α: 90°
• β: 98.29 ± 0.012°
• γ: 90°
• Cell volume: 19394 ± 8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2766
• Residual factor for significantly intense reflections: 0.1929
• Weighted residual factors for significantly intense reflections: 0.3973
• Weighted residual factors for all reflections included in the refinement: 0.4267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No