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CIF Information Card
Information card for 7101790
7101789 << 7101790 >> 7101791Preview
|
Coordinates |
7101790.cif |
Structure parameters
| Common name | 9,9'-(ethyne-1,2-diyl)difluoren-9-ol. (acetonitrile). (water) clathrate |
| Chemical name | 9,9'-(ethyne-1,2-diyl)difluoren-9-ol. (acetonitrile). (water) clathrate |
| Formula | - C30 H25 N O3 - |
| Calculated formula | - C30 H22 N O3 - |
| 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 | 11.176 ± 0.002 Å |
| b | 18.325 ± 0.004 Å |
| c | 23.185 ± 0.005 Å |
| α | 90° |
| β | 97.89 ± 0.03° |
| γ | 90° |
| Cell volume | 4703.6 ± 1.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1125 |
| Residual factor for observed reflections | 0.0465 |
| Weighted residual factors for the observed reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1321 |
| Goodness-of-fit parameter for observed reflections | 0.833 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |