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Information card for entry 7159525
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Coordinates | 7159525.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | II_SR_XRD_03_RT_2 |
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Formula | C17 H20 F3 N O3 S |
Calculated formula | C17 H20 F3 N O3 S |
Title of publication | Base-catalyzed diastereodivergent thia-Michael addition to chiral β-trifluoromethyl-α,β-unsaturated <i>N</i>-acylated oxazolidin-2-ones. |
Authors of publication | Racochote, Sasirome; Naweephattana, Phiphob; Surawatanawong, Panida; Kuhakarn, Chutima; Leowanawat, Pawaret; Reutrakul, Vichai; Soorukram, Darunee |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 35 |
Pages of publication | 7180 - 7187 |
a | 5.4848 ± 0.0003 Å |
b | 11.8755 ± 0.0007 Å |
c | 32.4602 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2114.3 ± 0.2 Å3 |
Cell temperature | 273.15 K |
Ambient diffraction temperature | 273.15 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0793 |
Residual factor for significantly intense reflections | 0.0726 |
Weighted residual factors for significantly intense reflections | 0.2032 |
Weighted residual factors for all reflections included in the refinement | 0.2141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~3~ |
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/7159525.html
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Users of the data should acknowledge the original authors of the
structural data.