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CIF Information Card
Information card for 7101792
7101791 << 7101792 >> 7101793Preview
|
Coordinates |
7101792.cif |
Structure parameters
| Common name | 1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). (ethanol). (acetonitrile) clathrate |
| Chemical name | 1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). (ethanol). (acetonitrile) clathrate |
| Formula | - C46 H36 N O4 - |
| Calculated formula | - C46 H36 N O4 - |
| Title of publication | Clathrates with mixed guests. |
| Authors of publication | le Roex, Tanya; Nassimbeni, Luigi R; Weber, Edwin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 11 |
| Pages of publication | 1124 - 1126 |
| a | 9.7084 ± 0.0019 Å |
| b | 11.562 ± 0.002 Å |
| c | 16.045 ± 0.003 Å |
| α | 80.21 ± 0.03° |
| β | 87.41 ± 0.03° |
| γ | 89.34 ± 0.03° |
| Cell volume | 1772.9 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0819 |
| Residual factor for observed reflections | 0.0415 |
| Weighted residual factors for the observed reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.1017 |
| Goodness-of-fit parameter for observed reflections | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |