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Information card for entry 1547575
Preview
| Coordinates | 1547575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H22 N2 O6 |
|---|---|
| Calculated formula | C25 H22 N2 O6 |
| SMILES | C(=O)([C@@H](C/C(=C\c1ccc(cc1)N(=O)=O)C(=O)OC)/N=C/c1cc2ccccc2cc1)OC |
| Title of publication | Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions. |
| Authors of publication | Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 18 |
| Pages of publication | 4896 - 4899 |
| a | 11.5902 ± 0.0018 Å |
| b | 7.8925 ± 0.0011 Å |
| c | 25.534 ± 0.004 Å |
| α | 90° |
| β | 96.954 ± 0.003° |
| γ | 90° |
| Cell volume | 2318.6 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0868 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1374 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547575.cif |
| 201726 | 2017-10-05 | cif/ Adding structures of 1547575 via cif-deposit CGI script. |
1547575.cif |
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Users of the data should acknowledge the original authors of the
structural data.