Table 6.
Compounds | Atoma | Linear regression (r2) |
Spearman correlation coefficient (Spearman r) |
P value for Spearman correlationb | ||||||
---|---|---|---|---|---|---|---|---|---|---|
hiCE | hCE1 | rCE | hiCE | hCE1 | rCE | hiCE | hCE1 | rCE | ||
Benzoins | C–OH | 0.16 | 0.22 | 0.25 | −0.470 | −0.757 | −0.533 | 0.077 | 0.001 | 0.041 |
C=O | 0.02 | 0.08 | 0.04 | 0.176 | 0.533 | 0.223 | 0.53 | 0.04 | 0.43 | |
C–OH | 0.02 | 0.03 | 0.00 | −0.198 | −0.146 | −0.013 | 0.48 | 0.60 | 0.96 | |
C=O | 0.23 | 0.11 | 0.20 | −0.672 | −0.665 | −0.518 | 0.006 | 0.007 | 0.05 | |
Benzils | C=O | 0.07 | 0.0 | 0.03 | −0.118 | −0.152 | −0.166 | 0.63 | 0.53 | 0.50 |
C=O | 0.03 | 0.0 | 0.02 | 0.115 | 0.245 | −0.041 | 0.64 | 0.31 | 0.87 |
Charge on specific atom is indicated in bold.
P values ≤ 0.05 are indicated in bold.