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Information card for entry 7117855
Preview
| Coordinates | 7117855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H48 N4 O7 |
|---|---|
| Calculated formula | C42 H48 N4 O7 |
| Title of publication | Organocatalytic dynamic kinetic resolution of azlactones to construct chiral N-acyl amino acid oxime esters |
| Authors of publication | Kunru Yu; Xiaohua Liu; Xiaobin Lin; Lili Lin; Xiaoming Feng |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 14897 |
| a | 9.8877 ± 0.0003 Å |
| b | 21.2513 ± 0.0005 Å |
| c | 11.0106 ± 0.0004 Å |
| α | 90° |
| β | 107.696 ± 0.003° |
| γ | 90° |
| Cell volume | 2204.14 ± 0.12 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0794 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1799 |
| Weighted residual factors for all reflections included in the refinement | 0.1955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| 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 |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117855.cif |
| 158309 | 2015-09-25 | cif/ Adding structures of 7117855 via cif-deposit CGI script. |
7117855.cif |
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Users of the data should acknowledge the original authors of the
structural data.