Information card for entry 4000702

Structure parameters

• Common name: byproduct
• Chemical name: byproduct
• Formula: C24 H20 Cl N O2 S2
• Calculated formula: C24 H20 Cl N O2 S2
• SMILES: Clc1c(CC(=C2SC(C=C2)=C2SC(C=C2)=C(C#N)C(=O)CC)C(=O)CC)cccc1
• Title of publication: Quinoidal Oligothiophenes with (Acyl)cyanomethylene Termini: Synthesis, Characterization, Properties, and Solution Processed n-Channel Organic Field-Effect Transistors†
• Authors of publication: Suzuki, Yuki; Shimawaki, Masafumi; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 795
• a: 9.1985 ± 0.0011 Å
• b: 9.5493 ± 0.0013 Å
• c: 13.2712 ± 0.0016 Å
• α: 75.93 ± 0.003°
• β: 75.466 ± 0.003°
• γ: 82.159 ± 0.003°
• Cell volume: 1091 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2632
• Weighted residual factors for all reflections included in the refinement: 0.2838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No