Information card for entry 1574295

Structure parameters

• Formula: C126 H155 F4 N9 O2 S4
• Calculated formula: C126 H155 F4 N9 O2 S4
• SMILES: s1c2c(sc3c4c5nc6c(nc5c5c(n(c7c8sc(/C=C9/C(c%10c(C9=O)cc(F)c(F)c%10)=C(C#N)C#N)c(c8sc57)CCCCCCCCCC)C[C@H](CCCCCCCCCCCC)CCCCCCCCCC)c4n(c23)C[C@H](CCCCCCCCCC)CCCCCCCCCCCC)c2c(nccc2)c2ccccc62)c(c1/C=C/1C(=O)c2cc(F)c(F)cc2C1=C(C#N)C#N)CCCCCCCCCCC
• Title of publication: Fine-tuning central extended unit symmetry via atom-level asymmetric molecular design enables efficient binary organic solar cells
• Authors of publication: Liu, Jian; Wang, Ruohan; Li, Longyu; Zhao, Wenkai; Suo, Zhaochen; Shi, Wendi; Long, Guankui; Yao, Zhaoyang; Wan, Xiangjian; Chen, Yongsheng
• Journal of publication: Energy & Environmental Science
• Year of publication: 2025
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 4470 - 4479
• a: 17.182 ± 0.003 Å
• b: 19.052 ± 0.004 Å
• c: 19.726 ± 0.004 Å
• α: 104.389 ± 0.009°
• β: 108.549 ± 0.009°
• γ: 92.542 ± 0.009°
• Cell volume: 5876 ± 2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.1953
• Residual factor for significantly intense reflections: 0.1323
• Weighted residual factors for significantly intense reflections: 0.3177
• Weighted residual factors for all reflections included in the refinement: 0.3508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No