Information card for entry 1559697

Structure parameters

• Formula: C12 H6 N2 S2
• Calculated formula: C12 H6 N2 S2
• SMILES: c1cc(c(/C=C/c2c(ccs2)C#N)s1)C#N
• Title of publication: Molecular engineering of (E)-1,2-bis(3-cyanothiophene-2-yl)ethene-based polymeric semiconductors for unipolar n-channel field-effect transistors
• Authors of publication: Wei, Congyuan; Tang, Zhonghai; Zhang, Weifeng; Huang, Jianyao; Zhou, Yankai; Wang, Liping; Yu, Gui
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 46
• Pages of publication: 7340 - 7348
• a: 6.8808 ± 0.0002 Å
• b: 11.0218 ± 0.0003 Å
• c: 7.1787 ± 0.0002 Å
• α: 90°
• β: 94.454 ± 0.003°
• γ: 90°
• Cell volume: 542.78 ± 0.03 ų
• Cell temperature: 170.01 ± 0.1 K
• Ambient diffraction temperature: 170.01 ± 0.1 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: 0.0279
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No