Information card for entry 7237145

Structure parameters

• Formula: C16 H12 F2 O2 S2
• Calculated formula: C16 H12 F2 O2 S2
• Title of publication: Revealing the effects of molecular packing on the performances of polymer solar cells based on A‒D‒C‒D‒A type non-fullerene acceptors
• Authors of publication: Li, Shuixing; Zhan, Lingling; Zhao, Wenchao; Zhang, Shuhua; Ali, Basharat; Fu, Zhisheng; Lau, Tsz-Ki; Lu, Xinhui; Shi, Minmin; Li, Chang-Zhi; Hou, Jianhui; Chen, Hongzheng
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 25
• Pages of publication: 12132
• a: 5.5646 ± 0.0006 Å
• b: 6.9441 ± 0.0008 Å
• c: 18.902 ± 0.002 Å
• α: 90°
• β: 98.039 ± 0.012°
• γ: 90°
• Cell volume: 723.22 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No