Information card for entry 1572791

Structure parameters

• Formula: C76 H78 F4 N9 O2 S2
• Calculated formula: C76 H78 F4 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: 14.9787 ± 0.0007 Å
• b: 15.6453 ± 0.0007 Å
• c: 15.6646 ± 0.0011 Å
• α: 85.291 ± 0.004°
• β: 68.991 ± 0.005°
• γ: 81.688 ± 0.004°
• Cell volume: 3389.1 ± 0.3 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.2217
• Residual factor for significantly intense reflections: 0.1982
• Weighted residual factors for significantly intense reflections: 0.6373
• Weighted residual factors for all reflections included in the refinement: 0.6754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No