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Information card for entry 1576055
Preview
| Coordinates | 1576055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 F2 N2 O3 |
|---|---|
| Calculated formula | C18 H18 F2 N2 O3 |
| 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 | 5.4907 ± 0.0003 Å |
| b | 11.8432 ± 0.0008 Å |
| c | 25.3093 ± 0.0016 Å |
| α | 90° |
| β | 93.479 ± 0.003° |
| γ | 90° |
| Cell volume | 1642.77 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0609 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1576055.cif |
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Users of the data should acknowledge the original authors of the
structural data.