Information card for entry 1571805

Structure parameters

• Formula: C126 H113 F6 N6 O9 S9
• Calculated formula: C126 H113 F6 N6 O9 S9
• 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: 15.5739 ± 0.0012 Å
• b: 18.8499 ± 0.0015 Å
• c: 20.1648 ± 0.0013 Å
• α: 98.961 ± 0.005°
• β: 96.362 ± 0.004°
• γ: 98.914 ± 0.005°
• Cell volume: 5721.3 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.2413
• Residual factor for significantly intense reflections: 0.1847
• Weighted residual factors for significantly intense reflections: 0.4266
• Weighted residual factors for all reflections included in the refinement: 0.4694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No