Information card for entry 4003483

Structure parameters

• Formula: C20 H12 F2 O4 S4
• Calculated formula: C20 H12 F2 O4 S4
• Title of publication: Influence of Covalent and Noncovalent Backbone Rigidification Strategies on the Aggregation Structures of a Wide-Band-Gap Polymer for Photovoltaic Cells
• Authors of publication: Li, Sunsun; Zhao, Wenchao; Zhang, Jianqi; Liu, Xiaoyu; Zheng, Zhong; He, Chang; Xu, Bowei; Wei, Zhixiang; Hou, Jianhui
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 18.9984 ± 0.0003 Å
• b: 3.80922 ± 0.00006 Å
• c: 26.9065 ± 0.0004 Å
• α: 90°
• β: 97.5378 ± 0.0016°
• γ: 90°
• Cell volume: 1930.37 ± 0.05 ų
• Cell temperature: 170 ± 0.13 K
• Ambient diffraction temperature: 170 ± 0.13 K
• Number of distinct elements: 5
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No