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Information card for entry 7160527
Preview
| Coordinates | 7160527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 N2 O4 |
|---|---|
| Calculated formula | C30 H32 N2 O4 |
| Title of publication | Pd(II)-Catalyzed Regioselective Hydroarylation of Allenyl-containing α-Amino Acid Derivatives with Aryl Boronic Acids |
| Authors of publication | Bubnova, Alexandra S.; Philippova, Anna N.; Gribanov, Pavel S.; Smol'yakov, Alexander F.; Osipov, Sergey; Vorobyeva, Daria |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.531 ± 0.01 Å |
| b | 11.853 ± 0.014 Å |
| c | 12.147 ± 0.014 Å |
| α | 70.51 ± 0.03° |
| β | 74.23 ± 0.03° |
| γ | 85.57 ± 0.04° |
| Cell volume | 1245 ± 2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.2045 |
| Residual factor for significantly intense reflections | 0.0976 |
| Weighted residual factors for significantly intense reflections | 0.2165 |
| Weighted residual factors for all reflections included in the refinement | 0.2875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.857 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299567 (current) | 2025-05-08 | cif/ Adding structures of 7160527 via cif-deposit CGI script. |
7160527.cif |
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Users of the data should acknowledge the original authors of the
structural data.