Information card for entry 1554459

Structure parameters

• Formula: C40 H40 N O2 S
• Calculated formula: C40 H40 N O2 S
• Title of publication: Construction of J-type aggregates as multi-functional interlayers for nonfullerene polymer solar cells
• Authors of publication: Wu, Minming; Zhou, Jiadong; Luo, Yinqi; Zheng, Nan; Wang, Cong; Liu, Linlin; Xie, Zengqi; Ma, Yuguang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 3324
• a: 8.8009 ± 0.0008 Å
• b: 12.3786 ± 0.0018 Å
• c: 16.3465 ± 0.0019 Å
• α: 102.889 ± 0.012°
• β: 95.068 ± 0.009°
• γ: 108.26 ± 0.011°
• Cell volume: 1624.3 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1733
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2799
• Weighted residual factors for all reflections included in the refinement: 0.3361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No