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Information card for entry 7102668
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Coordinates | 7102668.cif |
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Original paper (by DOI) | HTML |
Common name | p-tert-butyl-calix(4)arene*2,3,5,6-tetrafluorobenzene |
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Chemical name | p-tert-butyl-calix[4]arene*2,3,5,6-tetrafluorobenzene |
Formula | C50 H58 F4 O4 |
Calculated formula | C50 H58 F4 O4 |
Title of publication | Electrostatic and short-range interactions compete in directing the structure of p-tert-butylcalix[4]arene inclusion compounds of fluorinated benzenes. |
Authors of publication | Enright, Gary D; Udachin, Konstantin A; Ripmeester, John A |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 12 |
Pages of publication | 1360 - 1361 |
a | 12.9108 ± 0.001 Å |
b | 13.4629 ± 0.001 Å |
c | 14.8239 ± 0.0011 Å |
α | 67.479 ± 0.001° |
β | 84.212 ± 0.002° |
γ | 67.906 ± 0.001° |
Cell volume | 2202.6 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0986 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1289 |
Weighted residual factors for all reflections included in the refinement | 0.148 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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