Information card for entry 7236700

Structure parameters

• Formula: C26 H10 N4
• Calculated formula: C26 H10 N4
• Title of publication: Dicyano- and tetracyanopentacene: foundation of an intriguing new class of easy-to-synthesize organic semiconductors.
• Authors of publication: Glöcklhofer, Florian; Petritz, Andreas; Karner, Esther; Bojdys, Michael J.; Stadlober, Barbara; Fröhlich, Johannes; Unterlass, Miriam M.
• Journal of publication: Journal of materials chemistry. C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 2603 - 2610
• a: 3.7327 ± 0.0004 Å
• b: 11.2986 ± 0.001 Å
• c: 12.356 ± 0.0013 Å
• α: 75.176 ± 0.006°
• β: 87.062 ± 0.007°
• γ: 81.316 ± 0.006°
• Cell volume: 497.94 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for significantly intense reflections: 2.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.72
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No