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Information card for entry 1571634
Preview
| Coordinates | 1571634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 F N O3 S |
|---|---|
| Calculated formula | C30 H24 F N O3 S |
| Title of publication | α-Phenylthioaldehydes for the effective generation of acyl azolium and azolium enolate intermediates. |
| Authors of publication | Ewing, Paul M. D. A.; Majhi, Pankaj Kumar; Prentice, Callum; Young, Claire M.; van Rees, Karlotta; Arnold, Polly L.; Zysman-Colman, Eli; Smith, Andrew D. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 24 |
| Pages of publication | 9369 - 9375 |
| a | 7.4071 ± 0.0001 Å |
| b | 15.896 ± 0.0001 Å |
| c | 21.0437 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2477.75 ± 0.04 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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 |
|---|---|---|---|
| 292852 (current) | 2024-07-05 | cif/ Updating files of 1571634 Original log message: Adding full bibliography for 1571634.cif. |
1571634.cif |
| 291848 | 2024-05-15 | cif/ Adding structures of 1571634 via cif-deposit CGI script. |
1571634.cif |
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Users of the data should acknowledge the original authors of the
structural data.