Information card for entry 7127101

Structure parameters

• Formula: C168 H198 F4 N6 O6 S4
• Calculated formula: C168 H198 F4 N6 O6 S4
• Title of publication: A perylene diimide-containing acceptor enables high fill factor in organic solar cells.
• Authors of publication: Ding, Kui; Shan, Tong; Xu, Jinqiu; Li, Mengyang; Wang, Yan; Zhang, Yi; Xie, Ziyi; Ma, Zaifei; Liu, Feng; Zhong, Hongliang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 77
• Pages of publication: 11433 - 11436
• a: 12.984 ± 0.0009 Å
• b: 33.1749 ± 0.0019 Å
• c: 18.489 ± 0.0011 Å
• α: 90°
• β: 108.557 ± 0.004°
• γ: 90°
• Cell volume: 7549.9 ± 0.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.2007
• Residual factor for significantly intense reflections: 0.1197
• Weighted residual factors for significantly intense reflections: 0.3223
• Weighted residual factors for all reflections included in the refinement: 0.3958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No