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Information card for entry 1575030
Preview
| Coordinates | 1575030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (R,Z)-N-(3-(2-isopropylphenyl)-4-oxo-6-(trifluoromethyl)-1,3-thiazinan-2-ylidene)-4-methylbenzenesulfonamide |
|---|---|
| Formula | C21 H21 F3 N2 O3 S2 |
| Calculated formula | C21 H21 F3 N2 O3 S2 |
| Title of publication | Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones |
| Authors of publication | Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 23 |
| Pages of publication | 10494 - 10502 |
| a | 8.07483 ± 0.00006 Å |
| b | 15.56758 ± 0.00015 Å |
| c | 17.59729 ± 0.00015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2212.08 ± 0.03 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300332 (current) | 2025-07-04 | cif/ Adding structures of 1575029, 1575030, 1575031 via cif-deposit CGI script. |
1575030.cif |
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Users of the data should acknowledge the original authors of the
structural data.