6533b833fe1ef96bd129c9e4
RESEARCH PRODUCT
Structure of 5,17-dimethyl-11,23-dioctylcalix[4]arene
S. RantsordasF. GharnatiHelmut GoldmannMonique PerrinVolker Böhmersubject
chemistry.chemical_classificationStereochemistryChemistryGeneral ChemistryNuclear magnetic resonance spectroscopyCrystal structureTriclinic crystal systemCondensed Matter Physicschemistry.chemical_compoundCrystallographyStructural BiologyX-ray crystallographyCalixareneMoleculeSpectroscopyAlkylOrganometallic chemistrydescription
The title compound C46O4H60 crystallizes in the triclinic space group, P¯1, witha=11.584(2),b=16.261(2),c=11.172(1) A,α=103.15(8),β=95.68(1),γ=96.85(1)°. The structure was solved by direct methods, and refined by weighted full-matrix least squares toR=0.097. This is the second calix[4]arene with two different alkyl substituents atpara positions of the phenolic rings. The macrocycle adopts the cone conformation. Interactions CH3-π are established between two calixarenes related by a center of symmetry. Comparisons are made between the conformation of this molecule and that of symmetrically substituted calix[4]arenes.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1991-02-01 | Journal of Crystallographic and Spectroscopic Research |