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Information card for entry 4032753
Preview
Coordinates | 4032753.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H9 F9 O S |
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Calculated formula | C17 H9 F9 O S |
SMILES | s1ccc(C(=O)/C(=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2)c1 |
Title of publication | Access to Perfluoroalkyl-Substituted Enones and Indolin-2-ones via Multicomponent Pd-Catalyzed Carbonylative Reactions. |
Authors of publication | Yin, Hongfei; Skrydstrup, Troels |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 12 |
Pages of publication | 6474 - 6481 |
a | 13.0387 ± 0.0006 Å |
b | 5.8212 ± 0.0003 Å |
c | 22.0905 ± 0.0012 Å |
α | 90° |
β | 92.372 ± 0.002° |
γ | 90° |
Cell volume | 1675.25 ± 0.15 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0521 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0881 |
Weighted residual factors for all reflections included in the refinement | 0.096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.56086 Å |
Diffraction radiation type | AgKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032753.html
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Users of the data should acknowledge the original authors of the
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