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CIF Information Card
Information card for 4114413
4114412 << 4114413 >> 4114414Preview
|
Coordinates |
4114413.cif |
Structure parameters
| Formula | - C44 H42 Cl Ir N O2 P - |
| Calculated formula | - C44 H42 Cl Ir N O2 P - |
| Title of publication | Identification of an Activated Catalyst in the Iridium-Catalyzed Allylic Amination and Etherification. Increased Rates, Scope, and Selectivity |
| Authors of publication | Christoph A. Kiener; Chutian Shu; Christopher Incarvito; John F. Hartwig |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 14272 - 14273 |
| a | 11.608 ± 0.002 Å |
| b | 11.884 ± 0.002 Å |
| c | 14.13 ± 0.003 Å |
| α | 98.34 ± 0.03° |
| β | 103.13 ± 0.03° |
| γ | 105.27 ± 0.03° |
| Cell volume | 1787.2 ± 0.8 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0456 |
| Residual factor for observed reflections | 0.0335 |
| Weighted residual factors for the observed reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for observed reflections | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |