The title complex is asymmetric in the crystal due to the spatial orientation of the NCS function. The space group has been determined to be P21 with a = 9.496(3), b = 8.736(3), c = 9.676(3) Å, β = 117.859(5)°, and Z = 2. The solid state 13C NMR spectrum is consistent with the lack of symmetry in the crystal and there is little evidence for large amplitude motion in the macrocycle as determined from the dipolar dephased spectrum.

Additional Metadata
Keywords Lithium complex, Macrocyclic crown ether
Journal Canadian Journal of Chemistry
Citation
Buchanan, G.W, Driega, A.B., & Yap, G.P.A. (2000). Solid state stereochemistry of crown ethers: X-ray crystal structure and 13C NMR studies of the LiNCS complex of 1,4,7,11-tetraoxacyclotetradecane. Canadian Journal of Chemistry, 78(3), 316–321.