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Information card for entry 7158682
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Coordinates | 7158682.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | ethyl(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)propanoate |
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Formula | C18 H16 F4 O3 |
Calculated formula | C18 H16 F4 O3 |
Title of publication | Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters |
Authors of publication | Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2022 |
a | 8.0494 ± 0.0007 Å |
b | 9.9716 ± 0.0007 Å |
c | 11.4118 ± 0.0007 Å |
α | 113.593 ± 0.006° |
β | 103.792 ± 0.007° |
γ | 90.918 ± 0.007° |
Cell volume | 808.79 ± 0.12 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0566 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.081 |
Weighted residual factors for all reflections included in the refinement | 0.0922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7158682.html
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