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Information card for entry 1571482
Preview
| Coordinates | 1571482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 Cl4 N3 O4 |
|---|---|
| Calculated formula | C23 H23 Cl4 N3 O4 |
| Title of publication | De-epimerizing DyKAT of β-Lactones Generated by Isothiourea-Catalysed Enantioselective [2+2] Cycloaddition |
| Authors of publication | Conboy, Aífe; Goodfellow, Alister S.; Kasten, Kevin; Dunne, Joanne; Cordes, David Bradford; Buehl, Michael; Smith, Andrew D. |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 8.043 ± 0.002 Å |
| b | 10.783 ± 0.003 Å |
| c | 28.473 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2469.4 ± 1.2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0533 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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 |
|---|---|---|---|
| 291347 (current) | 2024-04-25 | cif/ Adding structures of 1571481, 1571482 via cif-deposit CGI script. |
1571482.cif |
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Users of the data should acknowledge the original authors of the
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