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Information card for entry 7160413
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| Coordinates | 7160413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | OXAZOLE |
|---|---|
| Chemical name | (5-(3,4-dimethoxyphenyl)oxazol-2-yl)(phenyl)methanone |
| Formula | C18 H15 N O4 |
| Calculated formula | C18 H15 N O4 |
| Title of publication | Oxidative annulation of L-phenylalanine using I<sub>2</sub>/DMSO: an easy approach for chemoselective synthesis of 2,3,5-trisubstituted pyridines and 2,5-disubstituted oxazoles. |
| Authors of publication | Devaraju, Mohankumar; Prasad Dasappa, Jagadeesh |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 14 |
| Pages of publication | 3437 - 3442 |
| a | 8.048 ± 0.002 Å |
| b | 8.244 ± 0.002 Å |
| c | 23.019 ± 0.007 Å |
| α | 90° |
| β | 96.925 ± 0.007° |
| γ | 90° |
| Cell volume | 1516.1 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1037 |
| Residual factor for significantly intense reflections | 0.0996 |
| Weighted residual factors for significantly intense reflections | 0.2551 |
| Weighted residual factors for all reflections included in the refinement | 0.2573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299112 (current) | 2025-04-05 | cif/ Updating files of 7160411, 7160412, 7160413 Original log message: Adding full bibliography for 7160411--7160413.cif. |
7160413.cif |
| 298456 | 2025-03-15 | cif/ Adding structures of 7160411, 7160412, 7160413 via cif-deposit CGI script. |
7160413.cif |
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Users of the data should acknowledge the original authors of the
structural data.