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Information card for entry 7108925
Preview
| Coordinates | 7108925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H12 F6 O2 |
|---|---|
| Calculated formula | C11 H12 F6 O2 |
| SMILES | FC1(F)C(=CC(F)(F)C(F)(F)C=C1OCC)OCC |
| Title of publication | Fluorinated 5- and 7-membered carbacycle motifs by reaction of difluorocarbene with acetylene ethers |
| Authors of publication | Poh Wai Chia; Davide Bello; Alexandra M. Z. Slawin; David O'Hagan |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 22 |
| Pages of publication | 2189 - 2191 |
| a | 9.4508 ± 0.0011 Å |
| b | 26.424 ± 0.003 Å |
| c | 5.05 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1261.1 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.