In order to compare the calculated uncertainties, experimental
[a]D data from literature [40] in different solvents are shown in
Table 7. From these data a mean value of 113.5 and a standard deviation
of 2.7 are calculated. In addition, using different solvents in
the continuum model, similar differences are obtained (Table 8).
The mean value is 114.4 and the standard deviation is 2.1. Therefore,
it is reasonable to assume similar levels of precision for the solvent
influence on [a]D for the experimental and calculated data and the
match between experiment and calculation is excellent. Consequently,
the comparison between two different solvents is justified
since this would introduce an error of 5% at maximum.