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Information card for entry 1545884
Preview
| Coordinates | 1545884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H23 N O4 S |
|---|---|
| Calculated formula | C23 H23 N O4 S |
| SMILES | S(=O)(=O)(N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)OC)c1ccc(cc1)C |
| Title of publication | Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters. |
| Authors of publication | Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 9 |
| Pages of publication | 2322 - 2325 |
| a | 12.542 ± 0.004 Å |
| b | 5.445 ± 0.0017 Å |
| c | 15.507 ± 0.004 Å |
| α | 90° |
| β | 94.578 ± 0.006° |
| γ | 90° |
| Cell volume | 1055.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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. |
1545884.cif |
| 197489 | 2017-06-05 | cif/ Updating files of 1545884 Original log message: Adding full bibliography for 1545884.cif. |
1545884.cif |
| 195823 | 2017-04-28 | cif/ Adding structures of 1545884 via cif-deposit CGI script. |
1545884.cif |
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Users of the data should acknowledge the original authors of the
structural data.