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Information card for entry 1567100
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Coordinates | 1567100.cif |
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Original paper (by DOI) | HTML |
Chemical name | '5-(4-chlorophenyl)-4-cyclopropyl-2-(pyridin-2-yl)oxazole' |
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Formula | C17 H13 Cl N2 O |
Calculated formula | C17 H13 Cl 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 | 5.7112 ± 0.0016 Å |
b | 23.177 ± 0.008 Å |
c | 10.865 ± 0.004 Å |
α | 90° |
β | 90.891 ± 0.013° |
γ | 90° |
Cell volume | 1438 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0525 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.1145 |
Weighted residual factors for all reflections included in the refinement | 0.1183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1567100.html
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