Information card for entry 1572794

Structure parameters

• Formula: C87 H97 Cl7 N6 O2 S4
• Calculated formula: C87 H97 Cl7 N6 O2 S4
• Title of publication: C-shaped ortho-benzodipyrrole-based acceptors with different electronic effects of top substituents for as-cast green-solvent processed high-performance organic solar cells
• Authors of publication: Gong, Yufei; Zou, Tianwei; Li, Xiaojun; Qin, Shucheng; Sun, Guangpei; Liang, TongLing; Zhou, Ruimin; Zhang, Jianqi; Zhang, Jinyuan; Meng, Lei; Wei, Zhixiang; Li, Yongfang
• Journal of publication: Energy & Environmental Science
• Year of publication: 2024
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 6844 - 6855
• a: 24.5282 ± 0.0011 Å
• b: 23.803 ± 0.0018 Å
• c: 34.0641 ± 0.0012 Å
• α: 90°
• β: 107.624 ± 0.004°
• γ: 90°
• Cell volume: 18954.7 ± 1.8 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2182
• Residual factor for significantly intense reflections: 0.1353
• Weighted residual factors for significantly intense reflections: 0.2738
• Weighted residual factors for all reflections included in the refinement: 0.3096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No