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Information card for entry 7108838
Preview
| Coordinates | 7108838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 Cl F3 N2 |
|---|---|
| Calculated formula | C18 H14 Cl F3 N2 |
| SMILES | Clc1cc(C#N)ccc1C/N=C(C(F)(F)F)\CCc1ccccc1 |
| Title of publication | An efficient synthesis of optically active trifluoromethyl aldimines via asymmetric biomimetic transamination |
| Authors of publication | Mao Liu; Jing Li; Xiao Xiao; Ying Xie; Yian Shi |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 14 |
| Pages of publication | 1404 - 1406 |
| a | 14.103 ± 0.003 Å |
| b | 7.631 ± 0.0015 Å |
| c | 16.683 ± 0.003 Å |
| α | 90° |
| β | 114.36 ± 0.03° |
| γ | 90° |
| Cell volume | 1635.6 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0938 |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for significantly intense reflections | 0.2023 |
| Weighted residual factors for all reflections included in the refinement | 0.2744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.219 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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