Information card for entry 4026000

Structure parameters

• Formula: C50 H16 F34 N4 O16
• Calculated formula: C50 H16 F34 N4 O16
• 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: 7.985 ± 0.004 Å
• b: 11.766 ± 0.006 Å
• c: 16.176 ± 0.008 Å
• α: 80.477 ± 0.011°
• β: 79.834 ± 0.009°
• γ: 74.24 ± 0.008°
• Cell volume: 1428.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No