Information card for entry 4517877

Structure parameters

• Formula: C152 H30 Cl2 F6 O4
• Calculated formula: C152 H30 Cl2 F6 O4
• SMILES: Clc1c(Cl)cccc1.FC(F)(F)COC(=O)CCCC1(C23C41c1c5c6c2c2c7c3c3c8c4c4c1c1c9c5c5c6c6c2c2c%10c7c7c3c3c8c8c4c4c1c1c9c9c5c5c6c2c2c6c%10c7c7c3c3c8c4c4c1c1c9c5c2c2c6c7c3c4c12)c1ccccc1.FC(F)(F)COC(=O)CCCC1(C23C41c1c5c6c2c2c7c3c3c8c4c4c1c1c9c5c5c6c6c2c2c%10c7c7c3c3c8c8c4c4c1c1c9c9c5c5c6c2c2c6c%10c7c7c3c3c8c4c4c1c1c9c5c2c2c6c7c3c4c12)c1ccccc1
• Title of publication: Mixed Fullerene Electron Transport Layers with Fluorocarbon Chains Assembling on the Surface: A Moisture-Resistant Coverage for Perovskite Solar Cells.
• Authors of publication: Xing, Zhou; Li, Shu-Hui; Xie, Fang-Fang; Xu, Piao-Yang; Deng, Lin-Long; Zhong, Xinxian; Xie, Su-Yuan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 24.6518 ± 0.0005 Å
• b: 17.795 ± 0.0003 Å
• c: 19.3911 ± 0.0004 Å
• α: 90°
• β: 102.588 ± 0.002°
• γ: 90°
• Cell volume: 8302 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No