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Information card for entry 1565182
Preview
| Coordinates | 1565182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H62 B2 Cl2 N2 O4 |
|---|---|
| Calculated formula | C55 H62 B2 Cl2 N2 O4 |
| Title of publication | Asymmetric Synthesis of Dibenzo[b,d]azepines by Cu-Catalyzed Reductive or Borylative Cyclization |
| Authors of publication | Rodríguez-Salamanca, Patricia; Martín de la Calle , Rocío; Rodríguez, Veronica; Merino, Pedro; Fernández, Rosario; Lassaletta, Jose M.; Hornillos, Valentín |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 10.4051 ± 0.001 Å |
| b | 21.314 ± 0.002 Å |
| c | 11.3738 ± 0.0012 Å |
| α | 90° |
| β | 103.171 ± 0.004° |
| γ | 90° |
| Cell volume | 2456.1 ± 0.4 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1278 |
| Weighted residual factors for all reflections included in the refinement | 0.1319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270583 (current) | 2021-11-11 | cif/ Adding structures of 1565180, 1565181, 1565182 via cif-deposit CGI script. |
1565182.cif |
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Users of the data should acknowledge the original authors of the
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