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Information card for entry 7242220
Preview
| Coordinates | 7242220.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H13 N O2 |
|---|---|
| Calculated formula | C10 H13 N O2 |
| SMILES | O=C(c1ccccc1)C(NO)(C)C |
| Title of publication | A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones |
| Authors of publication | Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M. |
| Journal of publication | Green Chemistry |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 6 |
| Pages of publication | 2336 - 2351 |
| a | 5.7769 ± 0.0003 Å |
| b | 7.6286 ± 0.0005 Å |
| c | 21.5338 ± 0.001 Å |
| α | 90° |
| β | 96.167 ± 0.005° |
| γ | 90° |
| Cell volume | 943.5 ± 0.09 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1094 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| 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 |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242220.cif |
| 263797 | 2021-04-05 | cif/ Updating files of 7242218, 7242219, 7242220, 7242221, 7242222, 7242223, 7242224 Original log message: Adding full bibliography for 7242218--7242224.cif. |
7242220.cif |
| 261367 | 2021-02-02 | cif/ Adding structures of 7242218, 7242219, 7242220, 7242221, 7242222, 7242223, 7242224 via cif-deposit CGI script. |
7242220.cif |
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Users of the data should acknowledge the original authors of the
structural data.