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Information card for entry 2200737
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| Coordinates | 2200737.cif |
|---|---|
| Structure factors | 2200737.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1,1,3,3,3-Hexafluoro-2-(4-nitrophenyl)-N-phenylisopropylamine |
|---|---|
| Formula | C15 H10 F6 N2 O2 |
| Calculated formula | C15 H10 F6 N2 O2 |
| SMILES | C(C(F)(F)F)(C(F)(F)F)(c1ccc(cc1)N(=O)=O)Nc1ccccc1 |
| Title of publication | 1,1,1,3,3,3-Hexafluoro-2-(4-nitrophenyl)-<i>N</i>-phenylisopropylamine |
| Authors of publication | Pavkovic, Stephen F.; Nelson, Derek W.; Owens, James R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | o941 - o942 |
| a | 16.903 ± 0.003 Å |
| b | 10.182 ± 0.002 Å |
| c | 17.971 ± 0.003 Å |
| α | 90° |
| β | 104.9 ± 0.01° |
| γ | 90° |
| Cell volume | 2988.9 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 20 ± 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 | 0.1632 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections included in the refinement | 0.1734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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