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Information card for entry 1520542
Preview
| Coordinates | 1520542.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H25 N O4 |
|---|---|
| Calculated formula | C32 H25 N O4 |
| SMILES | O=C(OC)C(=C)[C@@H](c1c2ccccc2ccc1)CC(=C1\N=C(OC1=O)c1ccccc1)\c1ccccc1 |
| Title of publication | Organocatalyzed Asymmetric Vinylogous Allylic-Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Olefinic Azlactones: Facile Access to Chiral Multifunctional α-Amino Acid Derivatives. |
| Authors of publication | Zhao, Shuai; Zhao, Yuan-Yuan; Lin, Jun-Bing; Xie, Ting; Liang, Yong-Min; Xu, Peng-Fei |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 13 |
| Pages of publication | 3206 - 3209 |
| a | 6.62144 ± 0.00014 Å |
| b | 20.1343 ± 0.0004 Å |
| c | 9.362 ± 0.0002 Å |
| α | 90° |
| β | 100.915 ± 0.002° |
| γ | 90° |
| Cell volume | 1225.54 ± 0.04 Å3 |
| Cell temperature | 293.69 ± 0.1 K |
| Ambient diffraction temperature | 293.69 ± 0.1 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0776 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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 |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520542.cif |
| 140259 | 2015-07-05 | cif/ Updating files of 1520542 Original log message: Adding full bibliography for 1520542.cif. |
1520542.cif |
| 139237 | 2015-06-16 | cif/ Adding structures of 1520542 via cif-deposit CGI script. |
1520542.cif |
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Users of the data should acknowledge the original authors of the
structural data.