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CIF Information Card
Information card for 7101704
7101703 << 7101704 >> 7101705Preview
|
Coordinates |
7101704.cif |
Structure parameters
| Common name | para-octanoylcalix(4)arene + acetone |
| Formula | - C66 H92 O10 - |
| Calculated formula | - C66 H92 O10 - |
| 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 | 12.6317 ± 0.0015 Å |
| b | 15.6209 ± 0.0018 Å |
| c | 15.658 ± 0.0018 Å |
| α | 90.081 ± 0.002° |
| β | 104.117 ± 0.002° |
| γ | 96.904 ± 0.002° |
| Cell volume | 2973.1 ± 0.6 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 | 0.1726 |
| Residual factor for observed reflections | 0.1122 |
| Weighted residual factors for the observed reflections | 0.3413 |
| Weighted residual factors for all reflections included in the refinement | 0.3959 |
| Goodness-of-fit parameter for observed reflections | 1.328 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |