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Information card for entry 4028185
Preview
Coordinates | 4028185.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H15 F3 O4 |
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Calculated formula | C14 H15 F3 O4 |
SMILES | [C@]12([C@H]([C@@]1([C@]1(C=C[C@]2(C)O1)C)C(F)(F)F)C(=O)OC)C(=O)C.[C@@]12([C@@H]([C@]1([C@@]1(C=C[C@@]2(C)O1)C)C(F)(F)F)C(=O)OC)C(=O)C |
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 | 12.796 ± 0.003 Å |
b | 8.726 ± 0.001 Å |
c | 25.901 ± 0.004 Å |
α | 90° |
β | 94.74 ± 0.04° |
γ | 90° |
Cell volume | 2882.2 ± 0.9 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 | 0.0785 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.1506 |
Weighted residual factors for all reflections included in the refinement | 0.1608 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
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/4028185.html
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Users of the data should acknowledge the original authors of the
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