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Information card for entry 7160639
Preview
| Coordinates | 7160639.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H15 Cl2 F N2 O2 S |
|---|---|
| Calculated formula | C23 H15 Cl2 F N2 O2 S |
| Title of publication | One-pot Synthesis of Sulfonyl 3,6-Diarylpyridazines via Tandem Condensation of α-Sulfonyl Ketones with Methyl Ketones |
| Authors of publication | Chang, Meng-Yang; Chen-Yo, Ou |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.7238 ± 0.0002 Å |
| b | 10.1366 ± 0.0002 Å |
| c | 11.2215 ± 0.0003 Å |
| α | 71.447 ± 0.002° |
| β | 86.43 ± 0.002° |
| γ | 80.166 ± 0.002° |
| Cell volume | 1033.13 ± 0.04 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0346 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301275 (current) | 2025-07-17 | cif/ Adding structures of 7160636, 7160637, 7160638, 7160639 via cif-deposit CGI script. |
7160639.cif |
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Users of the data should acknowledge the original authors of the
structural data.