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Information card for entry 7117639
Preview
Coordinates | 7117639.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H10 F3 N O |
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Calculated formula | C15 H10 F3 N O |
SMILES | FC(F)(F)/C=C(\c1cc2c(cc1)cc(OC)cc2)C#N |
Title of publication | The copper-catalyzed synthesis of beta-trifluoromethylated acrylonitriles and trifluoromethyl-substituted 2H-azirines |
Authors of publication | Yu-Tao He; Qiang Wang; Jiahui Zhao; Xue-Yuan Liu; Peng-Fei Xu; Yong-Min Liang |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 13209 |
a | 13.226 ± 0.003 Å |
b | 13.605 ± 0.004 Å |
c | 7.27 ± 0.002 Å |
α | 90° |
β | 92.84 ± 0.02° |
γ | 90° |
Cell volume | 1306.6 ± 0.6 Å3 |
Cell temperature | 293.18 ± 0.1 K |
Ambient diffraction temperature | 293.18 ± 0.1 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 | 0.2202 |
Residual factor for significantly intense reflections | 0.1085 |
Weighted residual factors for significantly intense reflections | 0.2646 |
Weighted residual factors for all reflections included in the refinement | 0.3752 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.917 |
Diffraction radiation probe | x-ray |
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/7117639.html
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