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Information card for entry 7118482
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| Coordinates | 7118482.cif |
|---|
| Formula | C36 H26 Br2 O4 |
|---|---|
| Calculated formula | C36 H26 Br2 O4 |
| SMILES | Brc1ccc(C(=O)/C=C/c2c(/C=C/[C@H]3OC(=O)[C@@H]4[C@H]3c3c([C@@H]4CC(=O)c4ccc(Br)cc4)cccc3)cccc2)cc1 |
| 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 | 5.5911 ± 0.0018 Å |
| b | 13.004 ± 0.004 Å |
| c | 40.623 ± 0.013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2953.6 ± 1.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0574 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.0701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| 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. |
7118482.cif |
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