Information card for entry 7127412

Structure parameters

• Formula: C28 H16 N2 S2
• Calculated formula: C28 H16 N2 S2
• SMILES: s1c(/C=C(c2ccccc2)\C#N)cc2c1cc1sc(/C=C(\C#N)c3ccccc3)cc1c2
• Title of publication: Organic single crystals of cyano-substituted <i>p</i>-phenylene vinylene derivatives as transistors with low surface trap density.
• Authors of publication: Deng, Jian; Wan, Yuejuan; Cai, Chang; Gu, Cheng; Ma, Yuguang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 89
• Pages of publication: 13776 - 13779
• a: 3.9035 ± 0.0004 Å
• b: 44.025 ± 0.006 Å
• c: 6.0394 ± 0.0006 Å
• α: 90°
• β: 95.692 ± 0.008°
• γ: 90°
• Cell volume: 1032.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2266
• Weighted residual factors for all reflections included in the refinement: 0.256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No