Information card for entry 1571803

Structure parameters

• Formula: C84 H74 F6 N4 O6 S6
• Calculated formula: C84 H74 F6 N4 O6 S6
• Title of publication: Enhanced crystal network and charge transfer of non-fused ring electron acceptor via interchain interaction enable efficient and stable organic solar cells
• Authors of publication: Ye, Shounuan; Chen, Tianyi; Yu, Jinyang; Wang, Shanlu; Li, Shuixing; Wang, Jingxi; Fu, Yuang; Zhu, Yuxuan; Wang, Mengting; Lu, Xinhui; Ma, Zaifei; Li, Chang-Zhi; Shi, Minmin; Chen, Hongzheng
• Journal of publication: Energy & Environmental Science
• Year of publication: 2024
• a: 20.4033 ± 0.0009 Å
• b: 7.8689 ± 0.0003 Å
• c: 25.4607 ± 0.0012 Å
• α: 90°
• β: 91.45 ± 0.002°
• γ: 90°
• Cell volume: 4086.4 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0877
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2414
• Weighted residual factors for all reflections included in the refinement: 0.2464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No