Information card for entry 7237508

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: 4.8961 ± 0.0004 Å
• b: 8.3384 ± 0.0007 Å
• c: 16.1441 ± 0.0014 Å
• α: 91.827 ± 0.003°
• β: 90.314 ± 0.003°
• γ: 99.32 ± 0.003°
• Cell volume: 650.02 ± 0.09 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: 0.0717
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No