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. 2009 Dec 1;14(12):4973–4986. doi: 10.3390/molecules14124973

Table 3.

Crystal data and structure refinements for compounds 4f, 4g’ and 4h’.

4f 4g’ 4h’
Chemical Formula C21H22N2O4 C21H20N2O4·0.421(C2H6OS) C16H15NO2
Fw 366.41 396.98 253.11
Crystal system / Space group C2/c P21/n P 21/c
Crystal colour Colourless Colourless Colourless
Crystal size (mm) 0.22 x 0.16 x 0.12 0.20 x 0.18 x 0.18 0.60 x 0.06 x 0.04
a (Å) 21.8480 20.9365 13.8876
b (Å) 12.1257 9.85390 5.7745
c (Å) 16.7405 21.4160 16.4267
α (°) 90.000 90.000 90.000
β (°) 121.6650 113.2622 104.791
γ (°) 90.000 90.000 90.000
V3) 3774.71 4059.08 1273.67
Z 8 8 4
Dcalc (g/cm3) 1.289 1.300 1.321
T (K) 150 150 150
μ( Mo Kα) (mm-1) 0.09 0.13 0.09
Reflections collected (Rint) 4264 (0.0289) 9268 (0.025) 2923 (0.030)
Data/Restraints/Parameters 2471/0/254 9247/60/552 2130/0/173
R1 (I>2σ(I)) 0.059 0.084 0.050
R1 / wR2 (all data) 0.142 0.123 0.079