Information card for entry 1552842

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: 6.052 ± 0.003 Å
• b: 7.23 ± 0.004 Å
• c: 10.735 ± 0.006 Å
• α: 72.62 ± 0.02°
• β: 86.1 ± 0.019°
• γ: 69.463 ± 0.017°
• Cell volume: 419.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No