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Information card for entry 7157952
Preview
| Coordinates | 7157952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 F3 N O4 S3 |
|---|---|
| Calculated formula | C20 H16 F3 N O4 S3 |
| SMILES | S(=O)(=N[S+]1c2c(c3c1cccc3)cccc2)(C)c1ccccc1.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 | 10.8928 ± 0.001 Å |
| b | 26.053 ± 0.002 Å |
| c | 7.3295 ± 0.0005 Å |
| α | 90° |
| β | 103.374 ± 0.003° |
| γ | 90° |
| Cell volume | 2023.6 ± 0.3 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0313 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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. |
7157952.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. |
7157952.cif |
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