Information card for entry 4025999

Structure parameters

• Formula: C34 H8 F10 N4
• Calculated formula: C34 H8 F10 N4
• SMILES: Fc1c(F)c(F)c(F)c(F)c1c1nc2ccc3c4c2c(ccc4c2ccc4c5c2c3ccc5nc(n4)c2c(F)c(F)c(F)c(F)c2F)n1
• 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: 11.602 ± 0.004 Å
• b: 3.726 ± 0.0013 Å
• c: 28.062 ± 0.01 Å
• α: 90°
• β: 96.652 ± 0.006°
• γ: 90°
• Cell volume: 1204.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No