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Illustration of the caging complex prediction results. 4-Ethyltoluene (4ET) is not caged by CC3; mesitylene (Mes) and m-xylene (mX) are caged by CC3. The robustness of all results (see section 5.5) was evaluated by varying the radii of the balls composing the guest models (±0.3 Å). Guest models that are caged by CC3 are depicted in green; those that escape the cage are depicted in red.
