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Information card for entry 7125432
Preview
| Coordinates | 7125432.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H28 N4 O4 |
|---|---|
| Calculated formula | C19 H28 N4 O4 |
| Title of publication | Direct enantioselective Mannich reactions of α-azido cyclic ketones: asymmetric construction of chiral azides possessing an α-quaternary stereocenter. |
| Authors of publication | Ye, Xueqian; Pan, Yongkai; Yang, Xiaoyu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2019 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 98 - 101 |
| a | 12.1314 ± 0.0004 Å |
| b | 10.4464 ± 0.0004 Å |
| c | 15.7145 ± 0.0006 Å |
| α | 90° |
| β | 95.952 ± 0.002° |
| γ | 90° |
| Cell volume | 1980.75 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 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 | 0.0625 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1273 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7125432.cif |
| 247573 | 2020-02-04 | cif/ Updating files of 7125431, 7125432 Original log message: Adding full bibliography for 7125431--7125432.cif. |
7125432.cif |
| 243755 | 2019-11-27 | cif/ Adding structures of 7125431, 7125432 via cif-deposit CGI script. |
7125432.cif |
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Users of the data should acknowledge the original authors of the
structural data.