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Information card for entry 7118481
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| Coordinates | 7118481.cif |
|---|
| Formula | C36 H28 O4 |
|---|---|
| Calculated formula | C36 H28 O4 |
| SMILES | O1C(=O)[C@H]2[C@H](c3c(cccc3)[C@H]2[C@@H]1/C=C/c1c(cccc1)/C=C/C(=O)c1ccccc1)CC(=O)c1ccccc1 |
| Title of publication | Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation |
| Authors of publication | Zhan-Yong Wang; Ya-Li Ding; Gang Wang; Ying Cheng |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 788 |
| a | 9.263 ± 0.0012 Å |
| b | 12.8186 ± 0.0016 Å |
| c | 22.369 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2656.1 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0275 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0703 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174541 (current) | 2016-01-18 | cif/ Adding structures of 7118480, 7118481, 7118482 via cif-deposit CGI script. |
7118481.cif |
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