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CIF Information Card
Information card for 7101682
7101681 << 7101682 >> 7101683Preview
|
Coordinates |
7101682.cif |
Structure parameters
| Formula | - C28 H32 Cu N2 O4 S4 - |
| Calculated formula | - C28 H32 Cu N2 O4 S4 - |
| Title of publication | Highly enantioselective nitroaldol reaction catalyzed by new chiral copper complexes. |
| Authors of publication | Bandini, Marco; Piccinelli, Fabio; Tommasi, Simona; Umani-Ronchi, Achille; Ventrici, Caterina |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 6 |
| Pages of publication | 616 - 618 |
| a | 20.9769 ± 0.0019 Å |
| b | 13.9008 ± 0.0012 Å |
| c | 12.2335 ± 0.0011 Å |
| α | 90° |
| β | 123.831 ± 0.001° |
| γ | 90° |
| Cell volume | 2963.2 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | C 1 c 1 |
| Hall symmetry space group | C -2yc |
| Residual factor for all reflections | 0.0773 |
| Residual factor for observed reflections | 0.0602 |
| Weighted residual factors for the observed reflections | 0.1887 |
| Weighted residual factors for all reflections included in the refinement | 0.2073 |
| Goodness-of-fit parameter for observed reflections | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |