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Information card for entry 7160624
Preview
| Coordinates | 7160624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12.67 H10.67 O4 |
|---|---|
| Calculated formula | C12.6667 H10.6667 O4 |
| 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 | 12.7257 ± 0.0003 Å |
| b | 4.6906 ± 0.0001 Å |
| c | 13.733 ± 0.0005 Å |
| α | 90° |
| β | 106.401 ± 0.003° |
| γ | 90° |
| Cell volume | 786.38 ± 0.04 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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. |
7160624.cif |
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Users of the data should acknowledge the original authors of the
structural data.