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Information card for entry 2007355
Preview
| Coordinates | 2007355.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4,4-Dimethyl-2-[(Z)-(2-N-p-anisyl-3,3,3-trifluoro)propenyl]-2-oxazoline. |
|---|---|
| Formula | C15 H17 F3 N2 O2 |
| Calculated formula | C15 H17 F3 N2 O2 |
| SMILES | FC(F)(F)C(Nc1ccc(OC)cc1)=CC1=NC(CO1)(C)C |
| Title of publication | 2-[(<i>Z</i>)-2-(<i>p</i>-Anisidino)-3,3,3-trifluoropropenyl]-4,4-dimethyl-2-oxazoline |
| Authors of publication | Liu-Gonzalez, Malva; Sanz-Ruíz, Francisco; Navarro-Martinez, Antonio; García de la Torre, Marta; Fustero-Lardies, Santos |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 875 - 877 |
| a | 9.109 ± 0.001 Å |
| b | 10.74 ± 0.002 Å |
| c | 16.04 ± 0.001 Å |
| α | 90° |
| β | 99 ± 0.1° |
| γ | 90° |
| Cell volume | 1549.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1614 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for all reflections included in the refinement | 0.1295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.878 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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