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CIF Information Card
Information card for 7101800
7101799 << 7101800 >> 7101801Preview
|
Coordinates |
7101800.cif |
Structure parameters
| Formula | - C27 H25 Cl O6 - |
| Calculated formula | - C27 H25 Cl O6 - |
| 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 | 5.7585 ± 0.0011 Å |
| b | 12.377 ± 0.002 Å |
| c | 17.297 ± 0.003 Å |
| α | 97.499 ± 0.019° |
| β | 97.56 ± 0.02° |
| γ | 103.09 ± 0.02° |
| Cell volume | 1173.8 ± 0.4 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 |
| Hall symmetry space group | P 1 |
| Residual factor for all reflections | 0.0939 |
| Residual factor for observed reflections | 0.0685 |
| Weighted residual factors for the observed reflections | 0.1378 |
| Weighted residual factors for all reflections included in the refinement | 0.1555 |
| Goodness-of-fit parameter for observed reflections | 1.116 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |