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. Author manuscript; available in PMC: 2015 Jan 15.
Published in final edited form as: J Am Chem Soc. 2014 Jan 3;136(2):725–732. doi: 10.1021/ja4105667

Table 1.

Comparison of experimentally measured and simulated 2H NMR order parameters at 298 K. Order parameters are averaged over all carbons in both sn-1 and sn-2 chains. The experimental order parameters were obtained from the spectra as described in Methods. Standard errors are indicated in the parentheses.

Expt. Lo/LdSim. Control Sim.
Lo 0.36 0.321(0.003) 0.373(0.001)
Ld 0.21 0.208(0.001) 0.223(0.001)