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Information card for entry 4038473
Preview
| Coordinates | 4038473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 Br F6 N2 O4 |
|---|---|
| Calculated formula | C21 H19 Br F6 N2 O4 |
| Title of publication | Synthesis of Active Hexafluoroisopropyl Benzoates via Multicomponent Reaction. |
| Authors of publication | Liu, Yi; Wu, Ziqiao; Wang, Yankai; Zhang, Yuheng; Shao, Jie; Lu, Tao; Li, Wenhai |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 27.123 ± 0.004 Å |
| b | 27.123 ± 0.004 Å |
| c | 13.041 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9594 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1161 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253065 (current) | 2020-06-11 | cif/ Adding structures of 4038473 via cif-deposit CGI script. |
4038473.cif |
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