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Information card for entry 7053362
Preview
Coordinates | 7053362.cif |
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Original paper (by DOI) | HTML |
Common name | 2,6-Di(3-methylphenyl)-4-(2,4,6-triphenyl-1-pyridino)- phenolat-Isopropanol (1:1) |
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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 Å3 |
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 |
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