Information card for entry 1547610

Structure parameters

• Formula: C64 H74 S2
• Calculated formula: C64 H74 S2
• Title of publication: Two-Dimensional Conjugated Polymer Based on sp2-Carbon Bridged Indacenodithiophene for Efficient Polymer Solar Cells
• Authors of publication: Guo, Yijing; Li, Miao; Zhou, Yuanyuan; Song, Jinsheng; Bo, Zhishan; Wang, Hua
• Journal of publication: Macromolecules
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 7984
• a: 10.64 ± 0.003 Å
• b: 15.198 ± 0.004 Å
• c: 18.576 ± 0.006 Å
• α: 106.712 ± 0.005°
• β: 93.358 ± 0.005°
• γ: 107.192 ± 0.005°
• Cell volume: 2714.4 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.3058
• Weighted residual factors for all reflections included in the refinement: 0.361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No