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Information card for entry 7160835
Preview
| Coordinates | 7160835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 F O4 S |
|---|---|
| Calculated formula | C13 H9 F O4 S |
| Title of publication | Reactivity study of 4-hydroxy-2<i>H</i>-chromene-2-thiones with symmetrical 1,4-acetylene dicarboxylates and methyl propiolate using ytterbium(III) triflate as catalyst: stereoselective synthesis of substituted fumarate and (<i>Z</i>) acrylate derivatives. |
| Authors of publication | Sk, Eman Ali; Khan, Abu Taleb |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 10.802 ± 0.003 Å |
| b | 13.196 ± 0.003 Å |
| c | 25.591 ± 0.006 Å |
| α | 90° |
| β | 90.479 ± 0.007° |
| γ | 90° |
| Cell volume | 3647.7 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| 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 | 0.0642 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303103 (current) | 2025-10-30 | cif/ Adding structures of 7160834, 7160835, 7160836 via cif-deposit CGI script. |
7160835.cif |
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Users of the data should acknowledge the original authors of the
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