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Information card for entry 7158680
Preview
Coordinates | 7158680.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-ethoxy-6-(4-fluorophenyl)-2,2-bis(perfluorophenyl)-2<i>H</i>-1,3λ^3^,2λ^4^-dioxaborinine |
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Formula | C23 H10 B F11 O3 |
Calculated formula | C23 H10 B F11 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 | 9.1068 ± 0.0003 Å |
b | 13.2125 ± 0.0004 Å |
c | 18.2143 ± 0.0007 Å |
α | 90° |
β | 93.148 ± 0.003° |
γ | 90° |
Cell volume | 2188.3 ± 0.13 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 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 | 0.0571 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.1062 |
Weighted residual factors for all reflections included in the refinement | 0.1197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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