Newkome G R, Kawato T, Fronczek F R
Department of Chemistry, University of South Florida, Tampa 33620.
Acta Crystallogr C. 1991 Feb 15;47 ( Pt 2):326-8. doi: 10.1107/s0108270190003699.
2,5,11,14-Tetraoxa-19,20-diazatricyclo-[13.3.1.1(6,10)] icosa-1(19),6,8,10(20),15,17-hexaene, C14H14N2O4, Mr = 274.3, monoclinic, P2(1)/c, a = 9.354(2), b = 9.011(3), c = 7.954(2) A, beta = 101.75(2) degrees, V = 656.4(6) A3, Z = 2, Dx = 1.388 g cm-3, lambda(Mo K alpha) = 0.71073 A, mu = 0.97 cm-1, F(000) = 288, T = 299 K, R = 0.035 for 834 observations with I greater than 3 sigma(I). The molecule lies on an inversion center and is in the anti or stepped conformation. The ethylene glycol chains are fully extended, and the two N-C-O-C torsion angles about the ring-O bonds are near zero, 1.6(2) and -2.3(2) degrees.
2,5,11,14-四氧杂-19,20-二氮杂三环-[13.3.1.1(6,10)]二十碳-1(19),6,8,10(20),15,17-六烯，C14H14N2O4，Mr = 274.3，单斜晶系，P2(1)/c，a = 9.354(2)，b = 9.011(3)，c = 7.954(2) Å，β = 101.75(2)°，V = 656.4(6) Å3，Z = 2，Dx = 1.388 g cm-3，λ(Mo Kα) = 0.71073 Å，μ = 0.97 cm-1，F(000) = 288，T = 299 K，对于834个I大于3σ(I)的观测值，R = 0.035。分子位于一个对称中心上，呈反式或阶梯式构象。乙二醇链完全伸展，围绕环-O键的两个N-C-O-C扭转角接近零，分别为1.6(2)°和 -2.3(2)°。
