Information card for entry 7237117

Structure parameters

• Formula: C98 H82 F4 N4 O2 S2 Se2
• Calculated formula: C98 H82 F4 N4 O2 S2 Se2
• Title of publication: Near-infrared absorbing non-fullerene acceptors with selenophene as π bridges for efficient organic solar cells
• Authors of publication: Liang, Ziqi; Li, Miaomiao; Zhang, Xiaomei; Wang, Qi; Jiang, Yu; Tian, Hongkun; Geng, Yanhou
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 17
• Pages of publication: 8059
• a: 31.859 ± 0.007 Å
• b: 16.153 ± 0.004 Å
• c: 16.23 ± 0.007 Å
• α: 90°
• β: 94.79 ± 0.03°
• γ: 90°
• Cell volume: 8323 ± 5 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2002
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.263
• Weighted residual factors for all reflections included in the refinement: 0.3438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No