Information card for entry 1571804

Structure parameters

• Formula: C86 H80 F4 N4 O6 S6
• Calculated formula: C86 H80 F4 N4 O6 S6
• Title of publication: Enhanced crystal network and charge transfer of non-fused ring electron acceptors via interchain interaction for 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
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 5137 - 5146
• a: 15.606 ± 0.003 Å
• b: 16.678 ± 0.003 Å
• c: 18.394 ± 0.003 Å
• α: 63.176 ± 0.011°
• β: 69.39 ± 0.014°
• γ: 69.98 ± 0.015°
• Cell volume: 3901.2 ± 1.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2701
• Residual factor for significantly intense reflections: 0.18
• Weighted residual factors for significantly intense reflections: 0.413
• Weighted residual factors for all reflections included in the refinement: 0.4989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No