Tetraundecylpentacyclooctacosadodecaenoctol Tetraethanol Solvate, (I), and Tetraundecylpentacyclooctacosadodecaenedodecol Hydrate 2.5-Ethanol Solvate, (II)

The X-ray crystal structures for the title compounds, (I) (C₇₂H₁₁₂O₈.4C₂H₆O) and (II) (C₇₂H₁₁₂O₁₂.2.5C₂H₆O.H₂O) (also called alkyl calix[4]resorcinarene and calix[4]pyrogallene, respectively), have been determined. The `legs' of the long alkyl chains on both compounds are deeply interdigitated and this observation accounts for the spontaneous formation of multilayers of such molecules. Both compounds are in a cone conformation in the crystal with very similar geometry parameters. The arrangement of the molecules in the crystal is also similar, with the long alkyl chains lying nearly parallel to the c axis and with `bowl'-to-`bowl' interactions being effected through van der Waals forces and hydrogen bonds involving solvate molecules [ethanol in the case of (I), and ethanol and water in the case of (II)].

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