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Information card for entry 1577425
Preview
| Coordinates | 1577425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14 Cl N O3 |
|---|---|
| Calculated formula | C17 H14 Cl N O3 |
| 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 | 7.2453 ± 0.00004 Å |
| b | 11.54662 ± 0.00006 Å |
| c | 17.00452 ± 0.00009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1422.58 ± 0.013 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0228 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for all reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections included in the refinement | 0.0571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0089 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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