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Information card for entry 1567098
Preview
Coordinates | 1567098.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | '2-(pyridin-2-yl)-4-(p-tolyl)-5-(2,4,6-trifluorophenyl)oxazole' |
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Formula | C21 H13 F3 N2 O |
Calculated formula | C21 H13 F3 N2 O |
Title of publication | An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. |
Authors of publication | Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu |
Journal of publication | Chemical science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 27 |
Pages of publication | 8080 - 8087 |
a | 12.0851 ± 0.0004 Å |
b | 7.7428 ± 0.0003 Å |
c | 19.0267 ± 0.0008 Å |
α | 90° |
β | 102.465 ± 0.004° |
γ | 90° |
Cell volume | 1738.41 ± 0.12 Å3 |
Cell temperature | 297 ± 7 K |
Ambient diffraction temperature | 297 ± 7 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0543 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.1078 |
Weighted residual factors for all reflections included in the refinement | 0.1166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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