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Information card for entry 2009128
Preview
| Coordinates | 2009128.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (8-Dimethylamino-1-naphtyl)dimethylammonium 6-fluoro-2-(trifluoromethyl)-4-quinolinolate -6-fluoro-2-(trifluoromethyl)-4-quinolinol |
|---|---|
| Formula | C36 H31 F8 N5 O2 |
| Calculated formula | C34 H28 F8 N4 O2 |
| Title of publication | 1,8-Bis(dimethylamino)naphthalene bis[6-fluoro-2-(trifluoromethyl)-4-quinolinol] acetonitrile solvate |
| Authors of publication | Vergeer, Peter; Kooijman, Huub; Schreurs, Antoine M.M.; Kroon, Jan; Grech, Eugeniusz |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 1822 - 1824 |
| a | 9.8833 ± 0.001 Å |
| b | 17.9581 ± 0.001 Å |
| c | 19.2752 ± 0.001 Å |
| α | 90° |
| β | 90.578 ± 0.01° |
| γ | 90° |
| Cell volume | 3420.9 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0896 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.7173 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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