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CIF Information Card
Information card for 7101750
7101749 << 7101750 >> 7101751Preview
|
Coordinates |
7101750.cif |
Structure parameters
| Formula | - C33 H46 N6 O2 - |
| Calculated formula | - C33 H46 N6 O2 - |
| Title of publication | A versatile building block for pyrazole-pyrrole hybrid macrocycles. |
| Authors of publication | Katsiaouni, Stamatia; Dechert, Sebastian; Brückner, Christian; Meyer, Franc |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 9 |
| Pages of publication | 951 - 953 |
| a | 19.8688 ± 0.0008 Å |
| b | 7.9486 ± 0.0005 Å |
| c | 21.8773 ± 0.0008 Å |
| α | 90° |
| β | 111.266 ± 0.003° |
| γ | 90° |
| Cell volume | 3219.8 ± 0.3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 2/c 1 |
| Hall symmetry space group | -P 2yc |
| Residual factor for all reflections | 0.0825 |
| Residual factor for observed reflections | 0.0506 |
| Weighted residual factors for the observed reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for observed reflections | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |