Information card for entry 4025998

Structure parameters

• Formula: C34 H14 F4 N4
• Calculated formula: C34 H14 F4 N4
• Title of publication: Substitutent Effects in the Periphery of 2,9-Bisaryl-tetraazaperopyrene Dyes
• Authors of publication: Susanne C. Martens; Till Riehm; Sonja Geib; Hubert Wadepohl; Lutz H. Gade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 609 - 617
• a: 6.9689 ± 0.0004 Å
• b: 10.5536 ± 0.0007 Å
• c: 16.8584 ± 0.001 Å
• α: 82.549 ± 0.001°
• β: 86.086 ± 0.001°
• γ: 73.071 ± 0.001°
• Cell volume: 1175.53 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No