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CIF Information Card
Information card for 7101799
7101798 << 7101799 >> 7101800Preview
|
Coordinates |
7101799.cif |
Structure parameters
| Formula | - C18 H24 O7 - |
| Calculated formula | - C18 H24 O7 - |
| Title of publication | Dynamic kinetic resolution of 2-oxo-3-aryl-succinates by organocatalyzed aldolization. |
| Authors of publication | Wang, Yajun; Shen, Zongxuan; Li, Bin; Zhang, Yong; Zhang, Yawen |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 12 |
| Pages of publication | 1284 - 1286 |
| a | 5.5529 ± 0.0006 Å |
| b | 14.4502 ± 0.0016 Å |
| c | 22.426 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1799.5 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.034 |
| Residual factor for observed reflections | 0.0335 |
| Weighted residual factors for the observed reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for observed reflections | 1.071 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |