Information card for entry 7250835

Structure parameters

• Formula: C214.5 H183 Cl10 F8 N16 O4 S10
• Calculated formula: C214.5 H198 Cl10 F8 N16 O4 S10
• Title of publication: Investigation on the Structure-Performance Correlation in Y-series Electron Acceptor with Different Phenyl Alkyl Inner Side Chains Toward High-Efficiency Organic Solar Cells
• Authors of publication: Kong, Jingyao; Zhu, Yufan; Li, Bowen; He, Dan; Zhao, Fuwen
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2025
• a: 20.0905 ± 0.0009 Å
• b: 20.3707 ± 0.0015 Å
• c: 29.595 ± 0.002 Å
• α: 68.47 ± 0.007°
• β: 71.318 ± 0.006°
• γ: 79.525 ± 0.006°
• Cell volume: 10644.8 ± 1.3 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1928
• Residual factor for significantly intense reflections: 0.1308
• Weighted residual factors for significantly intense reflections: 0.2889
• Weighted residual factors for all reflections included in the refinement: 0.3358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.765
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No