Information card for entry 4517313

Structure parameters

• Formula: C83 H76 F5 N4 O3 S4
• Calculated formula: C83 H76 F5 N4 O3 S4
• Title of publication: Regulating the Packing of Non-Fullerene Acceptors via Multiple Noncovalent Interactions for Enhancing the Performance of Organic Solar Cells.
• Authors of publication: Feng, Shiyu; Li, Miao; Tang, Ningning; Wang, Xiaodong; Huang, Hao; Ran, Guangliu; Liu, Yahui; Xie, Zengqi; Zhang, Wenkai; Bo, Zhishan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 4638 - 4648
• a: 11.2531 ± 0.0005 Å
• b: 19.4921 ± 0.0006 Å
• c: 19.6596 ± 0.0003 Å
• α: 96.865 ± 0.002°
• β: 95.807 ± 0.002°
• γ: 92.809 ± 0.003°
• Cell volume: 4251.2 ± 0.2 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: 0.1875
• Residual factor for significantly intense reflections: 0.1338
• Weighted residual factors for significantly intense reflections: 0.3507
• Weighted residual factors for all reflections included in the refinement: 0.4018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No