Structure of a covalently linked cross-section representative of a hydrogen-bonded dA . dT base pair

Abstract

3-(3',5'-Di-O-acetyl-2'-deoxy-β-D-ribofuranosyl)-9-(2'-deoxy-β-D-ribofuranosyl)-11-methyl-3H-pyrimido[1«,6»: 1',2']imidazo[4',5':4,5]imidazo[2,1-i]purin-8(9H)-one acetonitrile solvate monohydrate, C 26 H 28 N 8 O 9 .C 2 H 3 N.H 2 O, M r =655.63 (596.56+41.05+18,02), monoclinic, P2 1 , a=5.659 (2), b=15.097 (3), c=17.138 (5) A, β=96.73 (3) o , V=1454 (1)A 3 , Z=2, D x =1.497 g cm -3 , λ(Mo kα)=0.71073 A, μ=1.09 cm -1 , F(000)=688, T=198 K, R=0.054 and wR=0.056 for 1532 observed reflections