Structure of 5,11,17,23-tetra-tert-butyl-25,27-dicyanomethoxy-26,28-dimethoxycalix[4]arene

Abstract

β,β'-{5,11,17,23-Tetra-tert-butyl-26,28-dimethoxypentacyclo[19.3.1.1 3,7 .1 9,13 .1 15,19 ]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diyldioxy}diacetonitrile, C 50 H 62 N 2 O 4 , M r =755.1, monoclinic, C2/c, a=14.659 (1), b=16.591 (1), c=37.558 (5) A, β=90.38 (1) o , V=9134.19 A 3 , Z=8, D x =1.098 g cm -3 , λ(Mo Kα)=0.7107A, μ=0.64 cm -1 , F(000)=3264.0, T=293 K, wR=0.060 (w=1) for 4394 observed reflections with I>3σ(I). The x-ray structure shows that the compound adopts a partial-cone conformation in which the two anisole moieties are parallel to each other with the methoxy groups pointing outwards. The cyano groups are in anti positions