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Information card for entry 2206930
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| Coordinates | 2206930.cif |
|---|---|
| Structure factors | 2206930.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,7-Dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine diethanol solvate |
|---|---|
| Formula | C21 H26 F3 N3 O4 |
| Calculated formula | C21 H26 F3 N3 O4 |
| Title of publication | 6,7-Dimethoxy-<i>N</i>-[3-(trifluoromethyl)phenyl]quinazolin-4-amine ethanol disolvate |
| Authors of publication | Xia, Min |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3380 - o3382 |
| a | 8.7035 ± 0.0007 Å |
| b | 9.7426 ± 0.0008 Å |
| c | 14.5212 ± 0.0009 Å |
| α | 70.652 ± 0.004° |
| β | 89.493 ± 0.001° |
| γ | 77.484 ± 0.003° |
| Cell volume | 1131.52 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 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 all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1711 |
| Weighted residual factors for all reflections included in the refinement | 0.1858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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