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Information card for entry 2007322
Preview
| Coordinates | 2007322.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C18 H2 F16 |
|---|---|
| Calculated formula | C18 H2 F16 |
| SMILES | Fc1c(F)c2c3c(F)c(F)c(c(c3ccc2c(c1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F |
| Title of publication | 3,4,5,6-Tetrafluoro-1,2,7,8-tetrakis(trifluoromethyl)phenanthrene and 3,4,7,8-Tetrafluoro-1,2,5,6-tetrakis(trifluoromethyl)anthracene |
| Authors of publication | Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 846 - 849 |
| a | 8.291 ± 0.001 Å |
| b | 26.735 ± 0.005 Å |
| c | 8.567 ± 0.001 Å |
| α | 90° |
| β | 114.49 ± 0.02° |
| γ | 90° |
| Cell volume | 1728.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.08 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections | 0.14 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Goodness-of-fit parameter for all reflections | 1.1 |
| Goodness-of-fit parameter for significantly intense reflections | 1.065 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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