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. 2021 Aug 4;11(43):26581–26585. doi: 10.1039/d1ra05711a

Calculated DEIE for Cl and Br binding. Goodness of fit (R2) of the titration data to eqn (1) through linear regression is included in parentheses.

13C NMR Signal DEIE (R2)
Carbon Cl Br
Cab 0.983 ± 0.017 (0.997) 1.006 ± 0.010 (0.999)
C1 1.006 ± 0.007 (0.999) 1.009 ± 0.018 (0.997)
C1 1.014 ± 0.002 (1.00) 0.990 ± 0.046 (0.981)