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Information card for entry 1553782
Preview
Coordinates | 1553782.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H18 F2 O4 |
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Calculated formula | C21 H18 F2 O4 |
SMILES | FC(F)(C1=C(c2cc(ccc2C1=O)C)c1ccc(OC)cc1)C(=O)OCC |
Title of publication | A photoinduced reaction of perfluoroalkyl halides with 1,3-diarylprop-2-yn-1-ones catalyzed by DABSO |
Authors of publication | Li, Yuewen; Lu, Yiye; Mao, Runyu; Li, Zhiming; Wu, Jie |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2017 |
Journal volume | 4 |
Journal issue | 9 |
Pages of publication | 1745 |
a | 12.326 ± 0.004 Å |
b | 11.032 ± 0.004 Å |
c | 13.445 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1828.3 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0343 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
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/1553782.html
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