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Information card for entry 2023063
Preview
| Coordinates | 2023063.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (<i>S</i>)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone |
|---|---|
| Formula | C13 H13 Cl F N O4 |
| Calculated formula | C13 H13 Cl F N O4 |
| Title of publication | Crystal structure of (<i>S</i>)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone. |
| Authors of publication | Li, Victor; Yap, Glenn P. A.; Ni, Chaoying |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 4 |
| Pages of publication | 375 - 377 |
| a | 7.8729 ± 0.0012 Å |
| b | 5.5655 ± 0.0008 Å |
| c | 15.492 ± 0.002 Å |
| α | 90° |
| β | 101.446 ± 0.003° |
| γ | 90° |
| Cell volume | 665.31 ± 0.16 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1346 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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