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Information card for entry 7160448
Preview
| Coordinates | 7160448.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 N2 O5 S |
|---|---|
| Calculated formula | C15 H12 N2 O5 S |
| Title of publication | NaI-mediated α‑keto-acylation of NH-sulfoximines with aryl methyl ketones |
| Authors of publication | Rahman, Parbin; Chakraborty, Nikita; Patel, Bhisma K.; Rajbongshi, Kamal Krishna |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.7745 ± 0.0007 Å |
| b | 8.9918 ± 0.0009 Å |
| c | 11.1848 ± 0.0011 Å |
| α | 84.052 ± 0.002° |
| β | 77.84 ± 0.002° |
| γ | 78.812 ± 0.002° |
| Cell volume | 748.22 ± 0.12 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298591 (current) | 2025-03-26 | cif/ Adding structures of 7160448 via cif-deposit CGI script. |
7160448.cif |
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Users of the data should acknowledge the original authors of the
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