Information card for entry 7234475

Structure parameters

• Formula: C22 H16 S2
• Calculated formula: C22 H16 S2
• SMILES: s1c(/C(=C(c2ccccc2)/c2sccc2)c2ccccc2)ccc1
• Title of publication: Boronate ester post-functionalization of PPEs: versatile building blocks for poly(2,2'-(1-(4-(1,2-di(thiophen-2-yl)vinyl)phenyl)-2- (2,5-dioctylphenyl)ethene-1,2-diyl)dithiophene) and application in field effect transistors
• Authors of publication: Junwei Yang; Moyun Chen; Ji Ma; Wei Huang; Haoyun Zhu; Yuli Huang; Weizhi Wang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 10074 - 10078
• a: 9.831 ± 0.005 Å
• b: 9.58 ± 0.004 Å
• c: 10.09 ± 0.003 Å
• α: 90°
• β: 105.875 ± 0.019°
• γ: 90°
• Cell volume: 914 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1483
• Residual factor for significantly intense reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No