Information card for entry 1574296

Structure parameters

• Formula: C127 H156 Br F4 N9 O2 S4
• Calculated formula: C127 H156 Br F4 N9 O2 S4
• 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: 17.43 ± 0.005 Å
• b: 18.929 ± 0.005 Å
• c: 19.665 ± 0.005 Å
• α: 104.767 ± 0.008°
• β: 108.463 ± 0.009°
• γ: 91.368 ± 0.008°
• Cell volume: 5912 ± 3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.2932
• Residual factor for significantly intense reflections: 0.1554
• Weighted residual factors for significantly intense reflections: 0.3485
• Weighted residual factors for all reflections included in the refinement: 0.4025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No