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Information card for entry 7226497
Preview
| Coordinates | 7226497.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 Cl2 O3 |
|---|---|
| Calculated formula | C15 H12 Cl2 O3 |
| SMILES | Cl[C@@H](c1ccc2ccccc2c1)[C@H](Cl)C(=O)C(=O)OC.Cl[C@H](c1ccc2ccccc2c1)[C@@H](Cl)C(=O)C(=O)OC |
| Title of publication | A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins |
| Authors of publication | Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 88 |
| Pages of publication | 85182 |
| a | 7.1786 ± 0.0003 Å |
| b | 20.0394 ± 0.0012 Å |
| c | 20.1954 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2905.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1305 |
| Residual factor for significantly intense reflections | 0.124 |
| Weighted residual factors for significantly intense reflections | 0.3392 |
| Weighted residual factors for all reflections included in the refinement | 0.3637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186280 (current) | 2016-09-08 | cif/ Adding structures of 7226496, 7226497, 7226498 via cif-deposit CGI script. |
7226497.cif |
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Users of the data should acknowledge the original authors of the
structural data.