Information card for entry 1572790

Structure parameters

• Formula: C73.67 H61.33 Cl2.67 N7.67 O3.33 S3.33
• Calculated formula: C75 H61.3333 Cl4 N9 O2 S2
• Title of publication: High-efficiency organic solar cells from low-cost pentacyclic fused-ring electron acceptors via crystal engineering
• Authors of publication: Wei, Wenkui; Yuan, Xiyue; Zhong, Jianbin; Wang, Zhiqiang; Zhou, Xia; Zhao, Feixiang; Feng, Dinglong; Zhang, Yue; Chen, Weidi; Yang, Mingqun; Zhang, Wei; Ma, Zaifei; Tang, Zheng; Lu, Xinhui; Huang, Fei; Cao, Yong; Duan, Chunhui
• Journal of publication: Energy & Environmental Science
• Year of publication: 2024
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 6627 - 6639
• a: 20.0971 ± 0.0002 Å
• b: 24.3131 ± 0.0002 Å
• c: 56.2506 ± 0.0005 Å
• α: 90°
• β: 90.019 ± 0.001°
• γ: 90°
• Cell volume: 27485.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.3237
• Weighted residual factors for all reflections included in the refinement: 0.3578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.482
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No