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. 2022 Aug 8;13(37):10985–11008. doi: 10.1039/d2sc01096h

Steric parameters of selected atoms and functional groups.

Atom or group −ΔG (kcal mol−1) Es ν I X–H (kJ mol−1) wSterimol
wB1 (Å) wL (Å) wB5 (Å)
H 0.00 0.00 ∼4.0
F 0.15 0.46 0.27 19.2 1.52 3.12 2.03
Cl 0.43 0.97 0.55 38.1 1.80 3.99 2.03
Br 0.38 1.16 0.65 42.5 1.95 4.29 2.03
CN 0.17 0.51 25.6
NO2 1.10 1.01/2.52a 32.4
Me 1.70 1.24 0.52 40.4 1.88 3.43 2.02
CH2F 1.59 1.48 0.62
CHF2 1.85 1.91 0.68
CF3 2.10 2.40 0.91 50.6 1.87 3.75 2.60
i Pr 2.15 1.71 0.76 52.6 1.91 4.56 3.17
SiMe3 2.50 3.36 1.40 47.2
Ph 3.00 1.01/3.82a 1.66 33.1 1.70 6.80 3.15
t Bu ∼4.20 2.78 1.24 76.6 2.76 4.54 3.17
a

Thickness/width values.