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Information card for entry 7160169
Preview
| Coordinates | 7160169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 Cl N2 O3 |
|---|---|
| Calculated formula | C14 H13 Cl N2 O3 |
| Title of publication | I<sub>2</sub>-catalyzed tandem sp<sup>3</sup> C-H oxidation and annulation of aryl methyl ketones with amidoximes for the synthesis of 5-aroyl-1,2,4-oxadiazoles. |
| Authors of publication | Punna, Shiva Kumar; Arockiaraj, Mariyaraj; Rajeshkumar, Venkatachalam |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 36 |
| Pages of publication | 7478 - 7484 |
| a | 6.9833 ± 0.0006 Å |
| b | 7.9155 ± 0.0007 Å |
| c | 24.658 ± 0.002 Å |
| α | 90° |
| β | 91.509 ± 0.005° |
| γ | 90° |
| Cell volume | 1362.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0732 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1193 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295074 (current) | 2024-10-05 | cif/ Adding structures of 7160169, 7160170 via cif-deposit CGI script. |
7160169.cif |
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Users of the data should acknowledge the original authors of the
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