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Information card for entry 1566147
Preview
| Coordinates | 1566147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H38 N2 O2 |
|---|---|
| Calculated formula | C40 H38 N2 O2 |
| Title of publication | Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds |
| Authors of publication | Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 10.4645 ± 0.0002 Å |
| b | 12.4559 ± 0.0002 Å |
| c | 12.5578 ± 0.0002 Å |
| α | 107.272 ± 0.001° |
| β | 102.991 ± 0.001° |
| γ | 90.239 ± 0.001° |
| Cell volume | 1518.6 ± 0.05 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.142 |
| Weighted residual factors for all reflections included in the refinement | 0.1503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272257 (current) | 2022-01-27 | cif/ Adding structures of 1566147, 1566148, 1566149, 1566150 via cif-deposit CGI script. |
1566147.cif |
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Users of the data should acknowledge the original authors of the
structural data.