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Information card for entry 1567097
Preview
Coordinates | 1567097.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | '4-phenyl-2,5-di(pyridin-2-yl)oxazole' |
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Formula | C19 H13 N3 O |
Calculated formula | C19 H13 N3 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 | 6.1025 ± 0.0003 Å |
b | 8.5817 ± 0.0005 Å |
c | 14.6868 ± 0.0009 Å |
α | 86.201 ± 0.005° |
β | 80.086 ± 0.005° |
γ | 76.138 ± 0.005° |
Cell volume | 735.34 ± 0.07 Å3 |
Cell temperature | 391 ± 300 K |
Ambient diffraction temperature | 391 ± 300 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0601 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.136 |
Weighted residual factors for all reflections included in the refinement | 0.1458 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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