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Information card for entry 7112320
Preview
| Coordinates | 7112320.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H10 Br2 F6 O2 |
|---|---|
| Calculated formula | C19 H10 Br2 F6 O2 |
| SMILES | Brc1ccc(OC2=CC(F)(F)C(F)(F)C=C(Oc3ccc(Br)cc3)C2(F)F)cc1 |
| Title of publication | Fluorinated 5- and 7-membered carbacycle motifs by reaction of difluorocarbene with acetylene ethers. |
| Authors of publication | Chia, Poh Wai; Bello, Davide; Slawin, Alexandra M. Z.; O'Hagan, David |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 22 |
| Pages of publication | 2189 - 2191 |
| a | 5.512 ± 0.002 Å |
| b | 13.104 ± 0.007 Å |
| c | 14.668 ± 0.008 Å |
| α | 115.201 ± 0.01° |
| β | 90.957 ± 0.01° |
| γ | 98.891 ± 0.009° |
| Cell volume | 943.1 ± 0.8 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 | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7108926 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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