Information card for entry 7123644

Structure parameters

• Formula: C92 H82 Cl6 N4 O2 S2 Se2
• Calculated formula: C92 H82 Cl6 N4 O2 S2 Se2
• Title of publication: Fused Selenophene-thieno[3,2-b]thiophene-selenophene (ST)-based Narrow Bandgap Electron Acceptor for Efficient Organic Solar Cells with Small Voltage Loss
• Authors of publication: Liao, Xunfan; Shi, Xueliang; Zhang, Ming; Gao, Ke; Zuo, Lijian; Liu, Feng; Chen, Yiwang; Jen, Alex K. Y.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.568 ± 0.007 Å
• b: 21.991 ± 0.011 Å
• c: 21.812 ± 0.009 Å
• α: 90°
• β: 104.87 ± 0.02°
• γ: 90°
• Cell volume: 8145 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.6563
• Residual factor for significantly intense reflections: 0.2413
• Weighted residual factors for significantly intense reflections: 0.4403
• Weighted residual factors for all reflections included in the refinement: 0.6663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No