Information card for entry 4002850

Structure parameters

• Common name: 4tic
• Chemical name: 4tic
• Formula: C189 H176 N8 O6 S8
• Calculated formula: C189 H176 N8 O6 S8
• Title of publication: Design of a Highly Crystalline Low-Band Gap Fused-Ring Electron Acceptor for High-Efficiency Solar Cells with Low Energy Loss
• Authors of publication: Shi, Xueliang; Zuo, Lijian; Jo, Sae Byeok; Gao, Ke; Lin, Francis; Liu, Feng; Jen, Alex K.-Y.
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 8369
• a: 13.969 ± 0.007 Å
• b: 17.144 ± 0.009 Å
• c: 17.97 ± 0.01 Å
• α: 104.668 ± 0.016°
• β: 109.998 ± 0.017°
• γ: 96.169 ± 0.014°
• Cell volume: 3822 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.4023
• Residual factor for significantly intense reflections: 0.1422
• Weighted residual factors for significantly intense reflections: 0.2626
• Weighted residual factors for all reflections included in the refinement: 0.3592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No