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Information card for entry 7160668
Preview
| Coordinates | 7160668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H12 O3 S |
|---|---|
| Calculated formula | C17 H12 O3 S |
| Title of publication | One-pot Synthesis of Sulfonyl Benzotropones |
| Authors of publication | Chang, Meng-Yang; Ho, Chin-Huey |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 13.5989 ± 0.0003 Å |
| b | 7.2926 ± 0.0002 Å |
| c | 13.6091 ± 0.0003 Å |
| α | 90° |
| β | 94.811 ± 0.002° |
| γ | 90° |
| Cell volume | 1344.88 ± 0.06 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 | 0.0391 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0975 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| 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 |
|---|---|---|---|
| 301712 (current) | 2025-08-12 | cif/ Adding structures of 7160667, 7160668, 7160669, 7160670, 7160671, 7160672, 7160673, 7160674 via cif-deposit CGI script. |
7160668.cif |
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Users of the data should acknowledge the original authors of the
structural data.