For the cis-anti-cis and cis-syn-cis isomers of dicyclohexano-14-crown-4 and one LiNCS complex, X-ray crystallographic data are presented along with solid-phase 13C NMR spectra. Clear evidence for inversion of one of the cyclohexane rings of the cis-syn-cis isomer in order to form the LiNCS complex is presented. Other structural features of these systems are discussed in detail as well as the geometrical dependence of 13C chemical shifts in solids. For the dibenzo-14-crown-4 complex with LiNCS the solid-phase 13C NMR spectral results are discussed in light of the known X-ray structure.

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Journal American Chemical Society Journal
Citation
Buchanan, G.W, Kirby, R.A., & Charland, J.P. (1988). Stereochemistry of crown ethers and their complexes in the solid state. 13C CPMAS NMR and X-ray crystallographic studies of configurationally isomeric dicyclohexano-14-crown-4 ethers, dibenzo-14-crown-4 ether, and some lithium thiocyanate salts. American Chemical Society Journal, 110(8), 2477–2483.