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CIF Information Card
Information card for 7101794
7101793 << 7101794 >> 7101795Preview
|
Coordinates |
7101794.cif |
Structure parameters
| Common name | 1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). 1.41(ethanol). 0.59(acetonitrile) clathrate |
| Chemical name | 1.5(9,9'-(ethyne-1,2-diyl)difluoren-9-ol). 1.41(ethanol). 0.59(acetonitrile) clathrate |
| Formula | - C46 H36 N O4 - |
| Calculated formula | - C46 H33 N0.59 O4.41 - |
| 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 | 9.631 ± 0.0019 Å |
| b | 11.548 ± 0.002 Å |
| c | 16.154 ± 0.003 Å |
| α | 80.54 ± 0.03° |
| β | 87.79 ± 0.03° |
| γ | 89.66 ± 0.03° |
| Cell volume | 1770.8 ± 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 | 0.0868 |
| Residual factor for observed reflections | 0.0468 |
| Weighted residual factors for the observed reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for observed reflections | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |