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Information card for entry 7159662
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Coordinates | 7159662.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H7 Br F2 O3 |
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Calculated formula | C11 H7 Br F2 O3 |
Title of publication | Metal-free synthesis of difluoro/trifluoromethyl carbinol-containing chromones <i>via</i> tandem cyclization of <i>o</i>-hydroxyaryl enaminones. |
Authors of publication | Wu, Long-Hui; Liu, Xia; Liu, Zhao-Wen; Chen, Zhi-Xi; Fu, Xin-Lei; Yang, Kai |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 46 |
Pages of publication | 9236 - 9241 |
a | 11.4857 ± 0.0015 Å |
b | 9.7788 ± 0.0014 Å |
c | 9.6329 ± 0.0011 Å |
α | 90° |
β | 101.874 ± 0.012° |
γ | 90° |
Cell volume | 1058.8 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0867 |
Residual factor for significantly intense reflections | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.1727 |
Weighted residual factors for all reflections included in the refinement | 0.2021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/7159662.html
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structural data.