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Information card for entry 1577432
Preview
| Coordinates | 1577432.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H24 N2 O6 |
|---|---|
| Calculated formula | C27 H24 N2 O6 |
| Title of publication | Pd-catalyzed regio- and enantioselective allylation of cyclic allylboronates |
| Authors of publication | Zhang, Cheng; Popov, Roman; Leforestier, Baptiste; Besnard, Céline; Mazet, Clement |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 6.73693 ± 0.00007 Å |
| b | 21.9971 ± 0.0003 Å |
| c | 7.83072 ± 0.00009 Å |
| α | 90° |
| β | 94.2746 ± 0.001° |
| γ | 90° |
| Cell volume | 1157.23 ± 0.02 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0343 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306640 (current) | 2026-06-25 | cif/ Adding structures of 1577432 via cif-deposit CGI script. |
1577432.cif |
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Users of the data should acknowledge the original authors of the
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