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Information card for entry 7224723
Preview
| Coordinates | 7224723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H16 O5 |
|---|---|
| Calculated formula | C13 H16 O5 |
| SMILES | O(C)c1ccc(cc1)C(=O)C[C@@H](O)C(=O)OCC |
| Title of publication | Asymmetric Transfer Hydrogenation of γ-aryl α, γ-dioxo-butyric acid esters |
| Authors of publication | Mo, Yuanzhao; Nie, HuiFang; Lei, Yang; Zhang, Dongxu; Li, XiaoYe; Wang, QiaoFeng; zhang, shengyong |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 5.0181 ± 0.0011 Å |
| b | 11.253 ± 0.002 Å |
| c | 22.901 ± 0.005 Å |
| α | 90° |
| β | 90.618 ± 0.004° |
| γ | 90° |
| Cell volume | 1293.1 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0868 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179728 (current) | 2016-03-25 | cif/ Adding structures of 7224722, 7224723 via cif-deposit CGI script. |
7224723.cif |
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Users of the data should acknowledge the original authors of the
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