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Information card for entry 7159836
Preview
| Coordinates | 7159836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 Cl F2 N O4 |
|---|---|
| Calculated formula | C20 H24 Cl F2 N O4 |
| Title of publication | Synthesis of enantioenriched spirocyclic 2-arylpiperidines via kinetic resolution |
| Authors of publication | Choi, Anthony; Das, Anjan; Meijer, Anthony J. H. M.; Proietti Silvestri, Ilaria; Coldham, Iain |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 8 |
| Pages of publication | 1602 - 1607 |
| a | 8.252 ± 0.007 Å |
| b | 10.441 ± 0.011 Å |
| c | 12.226 ± 0.01 Å |
| α | 90° |
| β | 100.816 ± 0.01° |
| γ | 90° |
| Cell volume | 1034.7 ± 1.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290071 (current) | 2024-03-04 | cif/ Adding structures of 7159835, 7159836 via cif-deposit CGI script. |
7159836.cif |
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Users of the data should acknowledge the original authors of the
structural data.