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. 2014 Jul 16;10:1620–1629. doi: 10.3762/bjoc.10.168

Table 4.

Linear regression equations, intercepts in ppm. If not specified, both trimers yield the same results.

Eq. No Intercept Slope R2 Atom Exp. Calcd

1 26 (3.2 ± 0.7) (0.55 ± 0.10) 0.563 1H solution gas phase
2 26 (1.2 ± 0.6) (0.81 ± 0.08) 0.797 1H solution DMSO
3 59 −(0.2 ± 1.3) (1.00 ± 0.01) 0.993 13C solution gas phase
4 59 −(0.7 ± 0.7) (1.000 ± 0.001) 0.998 13C solution DMSO
5 59 −(0.7 ± 2.0) (1.01 ± 0.02) 0.987 13C CPMAS gas phase
6 59 −(0.8 ± 1.2) (1.01 ± 0.01) 0.993 13C CPMAS DMSO
7a 58 −(0.2 ± 1.3) (1.00 ± 0.01) 0.994 13C solution gas phase
8a 58 −(0.7 ± 0.7) (1.000 ± 0.005) 0.998 13C solution DMSO
9a 53 −(0.6 ± 1.9) (1.01 ± 0.02) 0.989 13C CPMAS gas phase
10a 53 −(1.1 ± 1.3) (1.01 ± 0.01) 0.995 13C CPMAS DMSO
11 6 (6.6 ± 7.2) (0.95 ± 0.06) 0.986 13C CPMAS monomerb
12 6 (5.2 ± 3.3) (0.96 ± 0.03) 0.997 13C CPMAS trimer Ab
13 6 (3.7 ± 3.4) (0.98 ± 0.03) 0.997 13C CPMAS trimer Bb
14 14 −(22.3 ± 7.3) (0.86 ± 0.04) 0.978 15N solution gas
15 14 (10.5 ± 9.1) (1.02 ± 0.05) 0.976 15N solution DMSO
16 14 −(51.0 ± 7.1) (0.72 ± 0.04) 0.970 15N CPMAS gas
17 14 −(23.5 ± 7.5) (0.86 ± 0.04) 0.976 15N CPMAS DMSO
18 10 −(1.4 ± 6.6) (0.96 ± 0.03) 0.991 15N solution monomerb
19 10 (6.6 ± 10.4) (1.00 ± 0.05) 0.979 15N solution trimerb
20 10 −(29.8 ± 5.3) (0.82 ± 0.03) 0.991 15N CPMAS monomerb
21 10 −(23.8 ± 7.5) (0.85 ± 0.04) 0.984 15N CPMAS trimerb

aThe 13C signal of the CF3 group has been removed. bDMSO calculations.