Information card for entry 7053362

Structure parameters

• Common name: 2,6-Di(3-methylphenyl)-4-(2,4,6-triphenyl-1-pyridino)- phenolat-Isopropanol (1:1)
• Chemical name: 2,6-Di(3-methylphenyl)-4-(2,4,6-triphenyl-1-pyridino)-phenolat- Isopropanol (1:1)
• Formula: C46 H41 N O2
• Calculated formula: C46 H40 N O2
• Title of publication: Synthesis and structures of crystalline solvates formed of pyridinium N-phenoxide (Reichardt's-type) betaine dyes and alcohols
• Authors of publication: Kurjatschij, Sandra; Seichter, Wilhelm; Weber, Edwin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1465
• a: 18.822 ± 0.001 Å
• b: 18.822 ± 0.001 Å
• c: 18.822 ± 0.001 Å
• α: 104.15 ± 0.01°
• β: 104.15 ± 0.01°
• γ: 104.15 ± 0.01°
• Cell volume: 5932.3 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :R
• Hall space group symbol: -P 3* 2n
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No