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Information card for entry 1573072
Preview
| Coordinates | 1573072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H20 F18 N2 |
|---|---|
| Calculated formula | C32 H20 F18.0005 N2 |
| Title of publication | Direct synthesis of N-perfluoro-tert-butyl secondary amines from N-trifluoromethyl secondary amines |
| Authors of publication | Wang, leibing; Feng, Zhongyu; Luo, Zhen; Guo, Zihao; Wang , Jieping; Yi, WenBin |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 37.282 ± 0.002 Å |
| b | 7.7234 ± 0.0005 Å |
| c | 10.7769 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3103.1 ± 0.3 Å3 |
| Cell temperature | 193.15 K |
| Ambient diffraction temperature | 193.15 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1499 |
| Weighted residual factors for all reflections included in the refinement | 0.1597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295804 (current) | 2024-11-07 | cif/ Adding structures of 1573072 via cif-deposit CGI script. |
1573072.cif |
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Users of the data should acknowledge the original authors of the
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