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Information card for entry 1546524
Preview
| Coordinates | 1546524.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H19 N O5 |
|---|---|
| Calculated formula | C20 H19 N O5 |
| SMILES | c1ccccc1/C=C(\NC(=O)OCc1ccccc1)C(=O)C(=O)OCC |
| Title of publication | Cross-Aldol Reaction of Activated Carbonyls with Nitrosocarbonyl Intermediates: Stereoselective Synthesis toward α-Hydroxy-β-amino Esters and Amides. |
| Authors of publication | Mallik, Sumitava; Bhajammanavar, Vinod; Ramakrishna, Isai; Baidya, Mahiuddin |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 14 |
| Pages of publication | 3843 - 3846 |
| a | 9.1369 ± 0.0002 Å |
| b | 9.5857 ± 0.0003 Å |
| c | 11.5538 ± 0.0003 Å |
| α | 81.1656 ± 0.0012° |
| β | 75.102 ± 0.0011° |
| γ | 71.2285 ± 0.0011° |
| Cell volume | 923.11 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1697 |
| Weighted residual factors for all reflections included in the refinement | 0.1814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200757 (current) | 2017-09-12 | cif/ Updating files of 1546524 Original log message: Adding full bibliography for 1546524.cif. |
1546524.cif |
| 198686 | 2017-07-13 | cif/ Adding structures of 1546524 via cif-deposit CGI script. |
1546524.cif |
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Users of the data should acknowledge the original authors of the
structural data.