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CIF Information Card
Information card for 7101864
7101863 << 7101864 >> 7101865Preview
|
Coordinates |
7101864.cif |
Structure parameters
| Formula | - C26 H26 Br N3 O3 - |
| Calculated formula | - C26 H26 Br N3 O3 - |
| Title of publication | The asymmetric vinylogous Mannich reaction of dicyanoalkylidenes with alpha-amido sulfones under phase-transfer conditions. |
| Authors of publication | Niess, Barbara; Jørgensen, Karl Anker |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 16 |
| Pages of publication | 1620 - 1622 |
| a | 5.4654 ± 0.0002 Å |
| b | 10.5477 ± 0.0003 Å |
| c | 11.0731 ± 0.0003 Å |
| α | 73.134 ± 0.001° |
| β | 89.326 ± 0.001° |
| γ | 78.226 ± 0.002° |
| Cell volume | 597.26 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 |
| Hall symmetry space group | P 1 |
| Residual factor for all reflections | 0.0371 |
| Residual factor for observed reflections | 0.0299 |
| Weighted residual factors for the observed reflections | 0.0662 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for observed reflections | 1.012 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |