Information card for entry 4517314

Structure parameters

• Formula: C91.94 H103.54 F0.34 N4 O3.66 S4
• Calculated formula: C91.948 H103.554 F0.342 N4 O3.658 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: 12.6483 ± 0.0005 Å
• b: 12.9721 ± 0.0006 Å
• c: 14.7724 ± 0.0004 Å
• α: 105.314 ± 0.003°
• β: 99.476 ± 0.003°
• γ: 116.269 ± 0.004°
• Cell volume: 1982.13 ± 0.17 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 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: 0.14
• Residual factor for significantly intense reflections: 0.1143
• Weighted residual factors for significantly intense reflections: 0.306
• Weighted residual factors for all reflections included in the refinement: 0.3341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No