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Information card for entry 7160600
Preview
| Coordinates | 7160600.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 O6 |
|---|---|
| Calculated formula | C12 H12 O6 |
| Title of publication | One-pot Synthesis of Sulfonylmethyl Phthalides via K2S2O8/DMSO-Mediated Methylenylation/Sulfonylation of Eudesmic Acid with Sulfinates |
| Authors of publication | Chang, Meng-Yang; Chen-Yo, Ou |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 3.8823 ± 0.0002 Å |
| b | 30.4422 ± 0.0018 Å |
| c | 9.0099 ± 0.0006 Å |
| α | 90° |
| β | 94.758 ± 0.005° |
| γ | 90° |
| Cell volume | 1061.17 ± 0.11 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.1719 |
| Weighted residual factors for all reflections included in the refinement | 0.1881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300100 (current) | 2025-06-17 | cif/ Adding structures of 7160599, 7160600 via cif-deposit CGI script. |
7160600.cif |
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Users of the data should acknowledge the original authors of the
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