Information card for entry 7237509

Structure parameters

• Formula: C30 H30 N4 S2
• Calculated formula: C30 H30 N4 S2
• Title of publication: N-Cyanoimine as an electron-withdrawing functional group for organic semiconductors: example of dihydroindacenodithiophene positional isomers
• Authors of publication: Peltier, Jean-David; Heinrich, Benoît; Donnio, Bertrand; Jeannin, Olivier; Rault-Berthelot, Joëlle; Jacques, Emmanuel; Poriel, Cyril
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 48
• Pages of publication: 13197
• a: 7.0293 ± 0.0011 Å
• b: 10.0818 ± 0.0013 Å
• c: 18.972 ± 0.003 Å
• α: 81.078 ± 0.005°
• β: 85.447 ± 0.006°
• γ: 80.052 ± 0.005°
• Cell volume: 1306.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1015
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No