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. 2011 Apr 19;2011:594242. doi: 10.5402/2011/594242

Table 2.

Energetic difference and Boltzmann population of different conformational types of complexed macrocycles.

Macrolactone 18 symmetric (n 1 = n 2 = 5) 18 dissymmetric (n 1 = 4, n 2 = 6)
Type ΔE % Type ΔE %
1 0.00 28.5 8 0.00 50.1
to 1 kcal/mol 8 0.30 26.5
7 0.54 25.1
2 1.47 19.9 7 4.04 18.8
Sup to1 kcal/mol 1 4.30 17.6
2 5.39 13.5