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Information card for entry 7119254
Preview
| Coordinates | 7119254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H16 O4 |
|---|---|
| Calculated formula | C19 H16 O4 |
| SMILES | O1c2c(cccc2)[C@@](C1=O)(Cc1ccccc1)C(=O)OCC=C |
| Title of publication | Direct enantioselective C-acylation for the construction of a quaternary stereocenter catalyzed by a chiral bicyclic imidazole. |
| Authors of publication | Wang, Mo; Zhang, Xiao; Ling, Zheng; Zhang, Zhenfeng; Zhang, Wanbin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2017 |
| Journal volume | 53 |
| Journal issue | 8 |
| Pages of publication | 1381 - 1384 |
| a | 15.9902 ± 0.0005 Å |
| b | 6.7069 ± 0.0002 Å |
| c | 15.597 ± 0.0005 Å |
| α | 90° |
| β | 107.569 ± 0.002° |
| γ | 90° |
| Cell volume | 1594.67 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 1.54178 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. |
7119254.cif |
| 191492 | 2017-02-04 | cif/ Updating files of 7119254 Original log message: Adding full bibliography for 7119254.cif. |
7119254.cif |
| 189784 | 2017-01-04 | cif/ Adding structures of 7119254 via cif-deposit CGI script. |
7119254.cif |
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Users of the data should acknowledge the original authors of the
structural data.