Information card for entry 1559499

Structure parameters

• Formula: C10 H4 Cl4 S2
• Calculated formula: C10 H4 Cl4 S2
• SMILES: C(=C\c1c(c(cs1)Cl)Cl)/c1c(c(Cl)cs1)Cl
• Title of publication: Direct Arylation Polycondensation of Chlorinated Thiophene Derivatives to High-Mobility Conjugated Polymers
• Authors of publication: Sui, Ying; Shi, Yibo; Deng, Yunfeng; Li, Riqing; Bai, Junhua; Wang, Zhongli; Dang, Yanfeng; Han, Yang; Kirby, Nigel; Ye, Long; Geng, Yanhou
• Journal of publication: Macromolecules
• Year of publication: 2020
• Journal volume: 53
• Journal issue: 22
• Pages of publication: 10147 - 10154
• a: 4.5288 ± 0.0016 Å
• b: 9.877 ± 0.003 Å
• c: 13.772 ± 0.004 Å
• α: 90°
• β: 95.219 ± 0.013°
• γ: 90°
• Cell volume: 613.5 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 4
• 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: 0.0438
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No