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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2023063.html
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