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Information card for entry 7160623
Preview
| Coordinates | 7160623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H9 F O3 |
|---|---|
| Calculated formula | C16 H9 F O3 |
| Title of publication | Selenium Dioxide-Mediated Oxidative Annulation of Sufonyl o-Hydroxyacetophenones with Acetophenones. One-pot Synthesis of Aurone Analogs |
| Authors of publication | Chang, Meng-Yang; Liu, Yu-Hsuan |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.1097 ± 0.0002 Å |
| b | 5.2299 ± 0.0001 Å |
| c | 27.2462 ± 0.0005 Å |
| α | 90° |
| β | 91.43 ± 0.002° |
| γ | 90° |
| Cell volume | 1155.23 ± 0.04 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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 |
|---|---|---|---|
| 300301 (current) | 2025-07-03 | cif/ Adding structures of 7160623, 7160624, 7160625, 7160626, 7160627 via cif-deposit CGI script. |
7160623.cif |
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Users of the data should acknowledge the original authors of the
structural data.