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Information card for entry 4033313
Preview
| Coordinates | 4033313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 F3 N2 O2 |
|---|---|
| Calculated formula | C14 H13 F3 N2 O2 |
| SMILES | FC(F)(F)c1nc([nH]c1C(=O)OCC)c1c(cccc1)C |
| Title of publication | A Domino Azidation/C-H Amination Approach toward Trifluoromethyl Substituted Imidazoles. |
| Authors of publication | Ma, Haichao; Zhang, Xiaoyan; Chen, Liangliang; Yu, Wei |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 22 |
| Pages of publication | 11841 - 11847 |
| a | 12.9089 ± 0.0008 Å |
| b | 24.6306 ± 0.0018 Å |
| c | 9.2995 ± 0.0008 Å |
| α | 90° |
| β | 104.03 ± 0.007° |
| γ | 90° |
| Cell volume | 2868.6 ± 0.4 Å3 |
| Cell temperature | 289.53 ± 0.1 K |
| Ambient diffraction temperature | 289.53 ± 0.1 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 | 0.1125 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1571 |
| Weighted residual factors for all reflections included in the refinement | 0.1925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204744 (current) | 2018-01-05 | cif/ Adding structures of 4033313 via cif-deposit CGI script. |
4033313.cif |
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Users of the data should acknowledge the original authors of the
structural data.