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Information card for entry 1566149
Preview
| Coordinates | 1566149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H34 N2 O2 |
|---|---|
| Calculated formula | C38 H34 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 | 19.6653 ± 0.0002 Å |
| b | 10.33692 ± 0.0001 Å |
| c | 28.5425 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5802.08 ± 0.1 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
1566149.cif |
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