1H - C12 24.14 23.91 23.04 24.46 3H -CH3O-1 28.94 27.44 28.60 28.34 28.27 27.47 28.20 27.48 27.71 27.47 26.79 28.31 3H -CH3O-2 28.18 27.15 26.57 27.43 27.69 26.28 27.44 26.93 27.95 27.41 28.11 25.87 3H -CH3O-3 27.78 27.49 27.48 27.75 27.38 27.55 27.50 27.70 27.60 27.21 27.51 27.22 3H -OCH3-10 25.98 27.67 27.10 27.63 28.09 27.39 26.92 27.42 27.63 27.64 27.20 27.75 3H - C14 29.45 29.90 29.25 29.79 30.06 29.79 29.79 29.76 29.59 30.06 29.56 29.39 1H - NH 25.59 25.77 24.49 25.47 Experimental chemical shifts and calculated isotropic values correlated in more than 99%. We used the equation below to calculate chemical shifts. Were: I- isotropic X- -0.9150 Y- 29.0393 CS- calculated value chemical shift Table S7. 1H NMR experimental and calculated (M06/pcS-2) chemical shifts data for colchicine and its complexes. Chemical shifts (ppm) Experimental Calculated Hydrogen atom 1 Col x Zn(NO3)2 1 1:1:1 Type A 1:1:1 Type B 1:1:1 Type C 1H - C4 6.69 6.75 6.47 6.64 6.16 6.73 2H - C5 2.32 2.2 2.66 2.72 2.43 2.70
1H - C12 24.14 23.91 23.04 24.46 3H -CH3O-1 28.94 27.44 28.60 28.34 28.27 27.47 28.20 27.48 27.71 27.47 26.79 28.31 3H -CH3O-2 28.18 27.15 26.57 27.43 27.69 26.28 27.44 26.93 27.95 27.41 28.11 25.87 3H -CH3O-3 27.78 27.49 27.48 27.75 27.38 27.55 27.50 27.70 27.60 27.21 27.51 27.22 3H -OCH3-10 25.98 27.67 27.10 27.63 28.09 27.39 26.92 27.42 27.63 27.64 27.20 27.75 3H - C14 29.45 29.90 29.25 29.79 30.06 29.79 29.79 29.76 29.59 30.06 29.56 29.39 1H - NH 25.59 25.77 24.49 25.47 Experimental chemical shifts and calculated isotropic values correlated in more than 99%. We used the equation below to calculate chemical shifts. Were: I- isotropic X- -0.9150 Y- 29.0393 CS- calculated value chemical shift Table S7. 1H NMR experimental and calculated (M06/pcS-2) chemical shifts data for colchicine and its complexes. Chemical shifts (ppm) Experimental Calculated Hydrogen atom 1 Col x Zn(NO3)2 1 1:1:1 Type A 1:1:1 Type B 1:1:1 Type C 1H - C4 6.69 6.75 6.47 6.64 6.16 6.73 2H - C5 2.32 2.2 2.66 2.72 2.43 2.70
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