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CIF Information Card
Information card for 4107186
4107185 << 4107186 >> 4107187Preview
|
Coordinates |
4107186.cif |
Structure parameters
| Formula | - C78 H58 F12 Fe N11 O1.5 P2 - |
| Calculated formula | - C78 H58 F12 Fe N11 O1.5 P2 - |
| Title of publication | Synthesis of Aziridines from Alkenes and Aryl Azides with a Reusable Macrocyclic Tetracarbene Iron Catalyst |
| Authors of publication | S. Alan Cramer; David M. Jenkins |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 19342 - 19345 |
| a | 20.4 ± 0.002 Å |
| b | 16.8402 ± 0.0018 Å |
| c | 21.336 ± 0.002 Å |
| α | 90° |
| β | 92.337 ± 0.002° |
| γ | 90° |
| Cell volume | 7323.7 ± 1.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.085 |
| Residual factor for observed reflections | 0.0655 |
| Weighted residual factors for the observed reflections | 0.1811 |
| Weighted residual factors for all reflections included in the refinement | 0.2009 |
| Goodness-of-fit parameter for observed reflections | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |