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Information card for entry 1577426
Preview
| Coordinates | 1577426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H6 Cl N O5 S |
|---|---|
| Calculated formula | C8 H6 Cl N O5 S |
| Title of publication | Enantioselective Titanium-Catalyzed Cycloadditions of Thiophene-S,S-Dioxides with Indenes |
| Authors of publication | Tian, Peilin; Saraiva Câmara, Viktor; Valentine, Margarita; Tinkler, Andrew P.; Crumpton, Agamemnon E.; Anderson, Edward A. |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 10.9725 ± 0.0001 Å |
| b | 6.5218 ± 0.0001 Å |
| c | 14.0224 ± 0.0001 Å |
| α | 90° |
| β | 95.9999 ± 0.0008° |
| γ | 90° |
| Cell volume | 997.952 ± 0.019 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.035 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for all reflections | 0.086 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0031 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306637 (current) | 2026-06-25 | cif/ Adding structures of 1577425, 1577426 via cif-deposit CGI script. |
1577426.cif |
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Users of the data should acknowledge the original authors of the
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