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Information card for entry 1577433
Preview
| Coordinates | 1577433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 F2 O4 S |
|---|---|
| Calculated formula | C22 H18 F2 O4 S |
| Title of publication | Dearomative [2+2] Photocycloaddition to Difluoro Bicyclo[2.1.1]hexane Bioisosteres |
| Authors of publication | Chen, Jun-Jie; Tang, Yi-Hui; Bai, Pei-Yuan; Huang, Huan-Ming |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 18.5568 ± 0.0009 Å |
| b | 7.5652 ± 0.0003 Å |
| c | 14.0361 ± 0.0007 Å |
| α | 90° |
| β | 105.426 ± 0.002° |
| γ | 90° |
| Cell volume | 1899.48 ± 0.15 Å3 |
| Cell temperature | 202 K |
| Ambient diffraction temperature | 202 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306641 (current) | 2026-06-25 | cif/ Adding structures of 1577433 via cif-deposit CGI script. |
1577433.cif |
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Users of the data should acknowledge the original authors of the
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