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. 2017 Apr 10;139(15):5467–5473. doi: 10.1021/jacs.7b01116

Table 1. Experimental and DFT Calculations of the Ring Strain Energies (kcal/mol) of Six-Membered Cyclic Phosphoester (1), Five-Membered Cyclic Phosphoester (2), and 3′,5′-Cyclic Phosphoester (3).

method 1 2 (R)-3 (S)-3
experimental   5.9 ± 0.3a    
B3LYP/6-31+Ga 0 4.1 6.3 5.9
M06-2X/6-31+Ga 0 5.0 7.2 5.4
B97-D/6-31+Ga 0 4.2 7.0 5.8
a

Experimental value of 2-Me was reported.48