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CIF Information Card
Information card for 7101751
7101750 << 7101751 >> 7101752Preview
|
Coordinates |
7101751.cif |
Structure parameters
| Formula | - C31 H37 F3 N6 O3 - |
| Calculated formula | - C31 H37 F3 N6 O3 - |
| 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 | 8.8877 ± 0.0007 Å |
| b | 11.7586 ± 0.0009 Å |
| c | 14.9846 ± 0.0012 Å |
| α | 111.537 ± 0.006° |
| β | 91.417 ± 0.006° |
| γ | 94.439 ± 0.006° |
| Cell volume | 1449.9 ± 0.2 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.0894 |
| Residual factor for observed reflections | 0.0533 |
| Weighted residual factors for the observed reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for observed reflections | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |