Information card for entry 1552840

Structure parameters

• Formula: C9 H6 O2 S2
• Calculated formula: C9 H6 O2 S2
• Title of publication: Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells
• Authors of publication: Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 341
• a: 9.738 ± 0.004 Å
• b: 7.241 ± 0.003 Å
• c: 24.578 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1733.1 ± 1.2 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.382
• Weighted residual factors for all reflections included in the refinement: 0.3928
• Goodness-of-fit parameter for all reflections included in the refinement: 3.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No