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Information card for entry 1576054
Preview
| Coordinates | 1576054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43.5 H43.5 F2 N2 O5 |
|---|---|
| Calculated formula | C43.5 H43.5 F2 N2 O5 |
| Title of publication | Diselenide-Enabled Photocatalytic Hydroazolation of gem-Difluoroalkenes |
| Authors of publication | Abd El-Gaber, Mohammed K.; Herrick, Ryan; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 43.884 ± 0.009 Å |
| b | 5.5853 ± 0.0012 Å |
| c | 15.05 ± 0.002 Å |
| α | 90° |
| β | 92.925 ± 0.012° |
| γ | 90° |
| Cell volume | 3684 ± 1.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0848 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302984 (current) | 2025-10-24 | cif/ Adding structures of 1576054, 1576055, 1576056, 1576057, 1576058 via cif-deposit CGI script. |
1576054.cif |
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Users of the data should acknowledge the original authors of the
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