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Information card for entry 7157743
Preview
| Coordinates | 7157743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H29 N O4 |
|---|---|
| Calculated formula | C37 H29 N O4 |
| SMILES | O(C(=O)c1c(c2c(cc1)cccc2)c1c2ccccc2ccc1C(=O)N[C@H](c1ccccc1)CO)Cc1ccccc1 |
| Title of publication | Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes. |
| Authors of publication | Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 47 |
| Pages of publication | 9712 - 9725 |
| a | 10.7714 ± 0.0001 Å |
| b | 11.3185 ± 0.0001 Å |
| c | 13.3343 ± 0.0001 Å |
| α | 66.429 ± 0.001° |
| β | 80.647 ± 0.001° |
| γ | 75.079 ± 0.001° |
| Cell volume | 1436.53 ± 0.02 Å3 |
| Cell temperature | 100 ± 0.13 K |
| Ambient diffraction temperature | 100 ± 0.13 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0266 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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 |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157743.cif |
| 260816 | 2021-01-07 | cif/ Updating files of 7157743, 7157744, 7157745 Original log message: Adding full bibliography for 7157743--7157745.cif. |
7157743.cif |
| 259437 | 2020-12-02 | cif/ Adding structures of 7157743, 7157744, 7157745 via cif-deposit CGI script. |
7157743.cif |
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Users of the data should acknowledge the original authors of the
structural data.