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Information card for entry 7126955
Preview
| Coordinates | 7126955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H22 O2 |
|---|---|
| Calculated formula | C24 H22 O2 |
| SMILES | O1c2ccccc2[C@@H]2C[C@]1(OC[C@@H]2Cc1ccccc1)c1ccccc1 |
| Title of publication | Highly enantioselective addition of aliphatic aldehydes to 2-hydroxychalcone enabled by cooperative organocatalysts. |
| Authors of publication | Hu, Jiadong; Gao, Yu-Qi; Xu, Dongyang; Chen, Le; Wen, Wen; Hou, Yi; Chen, Lu; Xie, Weiqing |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 69 |
| Pages of publication | 10018 - 10021 |
| a | 6.8735 ± 0.0001 Å |
| b | 8.7567 ± 0.0001 Å |
| c | 31.8081 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1914.5 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7126955.cif |
| 255961 | 2020-09-06 | cif/ Updating files of 7126955 Original log message: Adding full bibliography for 7126955.cif. |
7126955.cif |
| 254488 | 2020-07-23 | cif/ Adding structures of 7126955 via cif-deposit CGI script. |
7126955.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.