Solid-phase 13C NMR spectra are presented for the title systems. For dibenzo-12-crown-4, cis-anti-cis-di-cyclohexano-12-crown-4, and the LiNCS complex of the cis-syn-cis isomer, asymmetric units derived from the NMR data are consistent with single-crystal X-ray data. In the uncomplexed cis-syn-cis isomer, intermolecular crystal packing effects are shown to render intramolecularly equivalent carbons nonequivalent. Some factors contributing to the 13C steric shifts in these molecules are discussed.

Additional Metadata
Journal Journal of Organic Chemistry
Citation
Buchanan, G.W, Kirby, R.A., Charland, J.P., & Ratcliffe, C.I. (1991). 12-Crown-4 ethers: Solid-state stereochemical features of dibenzo-12-crown-4, derived dicyclohexano-12-crown-4 isomers, and a lithium thiocyanate complex as determined via 13C CPMAS nuclear magnetic resonance and X-ray crystallographic methods. Journal of Organic Chemistry, 56(1), 203–212.