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Information card for entry 7160554
Preview
| Coordinates | 7160554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H28 F2 O4 S |
|---|---|
| Calculated formula | C32 H28 F2 O4 S |
| Title of publication | Organocatalytic Enantioselective α-Difluoromethylketone Thiolation of β-Keto Esters Using Phthalimide-SCF2COAr |
| Authors of publication | Chang, Wenning; Wang, En; Liang, Junqing; Shao, Xusheng; Xu, Xiaoyong; Yang, Wu-Lin; Li, Zhong |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.9024 ± 0.0002 Å |
| b | 12.6959 ± 0.0002 Å |
| c | 10.5735 ± 0.0002 Å |
| α | 90° |
| β | 97.066 ± 0.001° |
| γ | 90° |
| Cell volume | 1319.2 ± 0.04 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299716 (current) | 2025-05-17 | cif/ Adding structures of 7160554 via cif-deposit CGI script. |
7160554.cif |
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Users of the data should acknowledge the original authors of the
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