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Information card for entry 4035039
Preview
| Coordinates | 4035039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H20 F3 N O |
|---|---|
| Calculated formula | C19 H20 F3 N O |
| SMILES | FC(F)(F)C(c1c(C)cc(cc1)C)C(=N\O)\c1ccc(cc1C)C |
| Title of publication | Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism. |
| Authors of publication | Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 17 |
| Pages of publication | 10142 - 10157 |
| a | 6.4856 ± 0.0005 Å |
| b | 10.5126 ± 0.0011 Å |
| c | 13.3256 ± 0.0013 Å |
| α | 104.204 ± 0.009° |
| β | 93.568 ± 0.007° |
| γ | 97.731 ± 0.007° |
| Cell volume | 868.46 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1517 |
| Residual factor for significantly intense reflections | 0.0976 |
| Weighted residual factors for significantly intense reflections | 0.2832 |
| Weighted residual factors for all reflections included in the refinement | 0.3317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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/4035039.html
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Users of the data should acknowledge the original authors of the
structural data.