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Information card for entry 7227340
Preview
| Coordinates | 7227340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H33 F3 O3 S |
|---|---|
| Calculated formula | C24 H33 F3 O3 S |
| Title of publication | Oxidative decarboxylative radical trifluoromethylthiolation of alkyl carboxylic acids with silver(i) trifluoromethanethiolate and selectfluor |
| Authors of publication | He, Bin; Xiao, Zhiwei; Wu, Hao; Guo, Yong; Chen, Qing-Yun; Liu, Chao |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 2 |
| Pages of publication | 880 |
| a | 11.2125 ± 0.0019 Å |
| b | 6.7337 ± 0.0011 Å |
| c | 15.886 ± 0.003 Å |
| α | 90° |
| β | 104.314 ± 0.004° |
| γ | 90° |
| Cell volume | 1162.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0946 |
| Residual factor for significantly intense reflections | 0.0744 |
| Weighted residual factors for significantly intense reflections | 0.1911 |
| Weighted residual factors for all reflections included in the refinement | 0.2107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227340.cif |
| 189818 | 2017-01-04 | cif/ Adding structures of 7227340 via cif-deposit CGI script. |
7227340.cif |
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Users of the data should acknowledge the original authors of the
structural data.