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Information card for entry 7122244
Preview
| Coordinates | 7122244.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H21 F N2 |
|---|---|
| Calculated formula | C19 H21 F N2 |
| Title of publication | The Strecker reaction coupled to Viedma ripening: a simple route to highly hindered enantiomerically pure amino acids. |
| Authors of publication | Baglai, Iaroslav; Leeman, Michel; Wurst, Klaus; Kaptein, Bernard; Kellogg, Richard M.; Noorduin, Willem L. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 77 |
| Pages of publication | 10832 - 10834 |
| a | 6.4325 ± 0.0003 Å |
| b | 15.1525 ± 0.0007 Å |
| c | 15.7404 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1534.19 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122244.cif |
| 228063 | 2019-11-17 | cif/ Updating files of 7122242, 7122243, 7122244 Original log message: Adding full bibliography for 7122242--7122244.cif. |
7122244.cif |
| 210118 | 2018-08-25 | cif/ Adding structures of 7122242, 7122243, 7122244 via cif-deposit CGI script. |
7122244.cif |
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Users of the data should acknowledge the original authors of the
structural data.