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Information card for entry 7157960
Preview
| Coordinates | 7157960.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H16 F5 N O3 S2 |
|---|---|
| Calculated formula | C26 H16 F5 N O3 S2 |
| SMILES | [S+]1(N=C(c2ccccc2)c2ccccc2)c2c(cc(F)cc2)c2c1ccc(F)c2.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | 5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents. |
| Authors of publication | Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 13 |
| Pages of publication | 2941 - 2948 |
| a | 10.9164 ± 0.0009 Å |
| b | 15.2555 ± 0.0015 Å |
| c | 14.1703 ± 0.0013 Å |
| α | 90° |
| β | 99.893 ± 0.004° |
| γ | 90° |
| Cell volume | 2324.8 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264946 (current) | 2021-05-05 | cif/ Updating files of 7157951, 7157952, 7157953, 7157954, 7157955, 7157956, 7157957, 7157958, 7157959, 7157960, 7157961, 7157962, 7157963, 7157964, 7157965, 7157966, 7157967, 7157968 Original log message: Adding full bibliography for 7157951--7157968.cif. |
7157960.cif |
| 263076 | 2021-03-17 | cif/ Adding structures of 7157951, 7157952, 7157953, 7157954, 7157955, 7157956, 7157957, 7157958, 7157959, 7157960, 7157961, 7157962, 7157963, 7157964, 7157965, 7157966, 7157967, 7157968 via cif-deposit CGI script. |
7157960.cif |
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Users of the data should acknowledge the original authors of the
structural data.