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Information card for entry 7108927
Preview
| Coordinates | 7108927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 Br2 F4 O2 |
|---|---|
| Calculated formula | C18 H10 Br2 F4 O2 |
| SMILES | Brc1ccc(OC23C(F)(F)C(C(=C2)Oc2ccc(Br)cc2)C3(F)F)cc1 |
| 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 | 10.8993 ± 0.0014 Å |
| b | 12.8061 ± 0.0017 Å |
| c | 13.1597 ± 0.0017 Å |
| α | 75.917 ± 0.007° |
| β | 71.005 ± 0.008° |
| γ | 89.973 ± 0.006° |
| Cell volume | 1678.4 ± 0.4 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 significantly intense reflections | 0.1195 |
| Weighted residual factors for all reflections included in the refinement | 0.3703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.31 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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