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Information card for entry 4028184
Preview
Coordinates | 4028184.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H7 F3 O3 |
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Calculated formula | C8 H7 F3 O3 |
SMILES | c1(cc(c(C(=O)C)o1)C(F)(F)F)OC |
Title of publication | Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds |
Authors of publication | Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 4239 - 4244 |
a | 7.829 ± 0.001 Å |
b | 15.32 ± 0.002 Å |
c | 15.181 ± 0.002 Å |
α | 90° |
β | 90.62 ± 0.02° |
γ | 90° |
Cell volume | 1820.7 ± 0.4 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0674 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0782 |
Weighted residual factors for all reflections included in the refinement | 0.0852 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.627 |
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/4028184.html
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Users of the data should acknowledge the original authors of the
structural data.