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Information card for entry 1549339
Preview
| Coordinates | 1549339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H27 B O4 |
|---|---|
| Calculated formula | C24 H27 B O4 |
| SMILES | B1(C[C@@](c2cc3ccccc3o2)(C)C(=O)c2ccccc2)OC(C(C)(C)O1)(C)C |
| Title of publication | Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds. |
| Authors of publication | Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 22 |
| Pages of publication | 4992 - 4998 |
| a | 12.5495 ± 0.0006 Å |
| b | 6.3424 ± 0.0003 Å |
| c | 13.2506 ± 0.0006 Å |
| α | 90° |
| β | 92.671 ± 0.002° |
| γ | 90° |
| Cell volume | 1053.52 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0267 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1549339.cif |
| 228649 | 2019-11-17 | cif/ Updating files of 1549338, 1549339 Original log message: Adding full bibliography for 1549338--1549339.cif. |
1549339.cif |
| 207516 | 2018-04-30 | cif/ Adding structures of 1549338, 1549339 via cif-deposit CGI script. |
1549339.cif |
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Users of the data should acknowledge the original authors of the
structural data.