Information card for entry 1559498

Structure parameters

• Formula: C8 H2 Cl4 S2
• Calculated formula: C8 H2 Cl4 S2
• SMILES: c1c(c(c(s1)c1c(c(cs1)Cl)Cl)Cl)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: 10.4092 ± 0.0003 Å
• b: 3.8459 ± 0.0001 Å
• c: 13.332 ± 0.0004 Å
• α: 90°
• β: 106.08 ± 0.001°
• γ: 90°
• Cell volume: 512.84 ± 0.03 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.97 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No