Information card for entry 4003844

Structure parameters

• Formula: C116 H93 F4 N4 O2 S4
• Calculated formula: C116 H93 F4 N4 O2 S4
• Title of publication: Isomeric Effect in Unidirectionally Extended Fused-Ring Electron Acceptors
• Authors of publication: Jia, Boyu; Li, Mengyang; Zhou, Jiadong; Xiao, Yiqun; Zhang, Shenghan; Wang, Jiayu; Lu, Xinhui; Xie, Zengqi; Tang, Zheng; Zhan, Xiaowei
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 22.301 ± 0.003 Å
• b: 37.511 ± 0.005 Å
• c: 27.083 ± 0.005 Å
• α: 90°
• β: 104.789 ± 0.016°
• γ: 90°
• Cell volume: 21905 ± 6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.2159
• Residual factor for significantly intense reflections: 0.1204
• Weighted residual factors for significantly intense reflections: 0.325
• Weighted residual factors for all reflections included in the refinement: 0.391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No