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CIF Information Card
Information card for 7101705
7101704 << 7101705 >> 7101706Preview
|
Coordinates |
7101705.cif |
Structure parameters
| Common name | para-octanoylcalix(4)arene |
| Formula | - C60 H80 O8 - |
| Calculated formula | - C60 H80 O8 - |
| Title of publication | A molecular turnstile in para-octanoyl calix[4]arene nanocapsules. |
| Authors of publication | Ananchenko, Gennady S; Udachin, Konstantin A; Pojarova, Michaela; Jebors, Said; Coleman, Anthony W; Ripmeester, John A |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 7 |
| Pages of publication | 707 - 709 |
| a | 11.609 ± 0.003 Å |
| b | 15.012 ± 0.004 Å |
| c | 15.233 ± 0.004 Å |
| α | 77.218 ± 0.007° |
| β | 89.814 ± 0.006° |
| γ | 83.368 ± 0.007° |
| Cell volume | 2570.9 ± 1.1 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1346 |
| Residual factor for observed reflections | 0.081 |
| Weighted residual factors for the observed reflections | 0.1901 |
| Weighted residual factors for all reflections included in the refinement | 0.2256 |
| Goodness-of-fit parameter for observed reflections | 1.024 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |