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Information card for entry 7101705
Preview
Coordinates | 7101705.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | para-octanoylcalix(4)arene |
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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 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1346 |
Residual factor for significantly intense reflections | 0.081 |
Weighted residual factors for significantly intense reflections | 0.1901 |
Weighted residual factors for all reflections included in the refinement | 0.2256 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7101705.html
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Users of the data should acknowledge the original authors of the
structural data.