Information card for entry 7127413

Structure parameters

• Formula: C10 H6 N S
• Calculated formula: C10 H6 N S
• 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: 3.938 ± 0.004 Å
• b: 5.87 ± 0.005 Å
• c: 18.06 ± 0.02 Å
• α: 80.84 ± 0.04°
• β: 87.25 ± 0.05°
• γ: 86.08 ± 0.04°
• Cell volume: 410.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2976
• Weighted residual factors for all reflections included in the refinement: 0.3228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No