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. 2016 Dec 29;22(1):46. doi: 10.3390/molecules22010046

Table 3.

Details of the X-ray Data Collections and Refinements for Compounds 12, 14 and 16.

Compound
12 14 16
Formula C18H17BrN2Se C20H19ClN2O2Se C25H22N2OSe
M 420.21 433.80 445.42
Crystal system monoclinic orthorhombic monoclinic
Space group P21 Pbca P21/c
a/Å 10.6448(10) 27.974(16) 10.1342(7)
b/Å 7.4660(7) 17.910(11) 14.6025(10)
c/Å 11.5064(11) 7.817(5) 27.942(2)
α 90 90 90
β 116.039(3) 90 90.421(4)
γ 90 90 90
U/A3 821.64(14) 3916(4) 4134.9(5)
Z 2 8 8
µ/cm−1 47.219 20.701 18.350
Reflections collected 6350 26,522 31,646
Independent reflections 2839 3437 7262
Rint 0.0536 0.0694 0.2391
R1 0.0309 0.0422 0.0701
wR2 [I > 2σ(I)] 0.0639 0.0975 0.1456