Pfluger C E, Kallmerten J, Plata D J
Department of Chemistry, Syracuse University, New York 13244.
Acta Crystallogr C. 1989 Jul 15;45 ( Pt 7):1031-4. doi: 10.1107/s0108270189000107.
C20H30O6, Mr = 366.45, monoclinic, P2l/n, a = 10.411 (2), b = 16.084 (3), c = 11.991 (1) A, beta = 100.98 Mg m-3, Mo Ka, lambda V 0.71069 A, mu = 0.097 (2) degrees, V = 1971 (6) A3, Z = 4, Dx = 1.23 Mg m-3, Mo Ka, lambda = 0.71069 A, mu = 0.097 mm-1, F(000) = 792, T = 296 K, R = 0.050, wR = 0.065 for 3430 observed unique reflections. The structure of a key synthetic intermediate for use in a total synthesis of the nargenicin antibiotics has been established by X ray single-crystal methods. Its structure is characterized by an essentially strain-free tricyclic oxa-bridged octalin nucleus, low-energy methoxymethyl ether side-chain conformations and an intramolecular hydrogen bond between the hydroxyl group hydrogen atom and a methoxymethyl ether oxygen atom. Intermolecular packing contacts less than the sum of van der Waals radii consist of weak C-H...O interactions.
C20H30O6，Mr = 366.45，单斜晶系，P2l/n，a = 10.411(2)，b = 16.084(3)，c = 11.991(1)埃，β = 100.98°，Mg m-3，钼Kα，λ = 0.71069埃，μ = 0.097(2)度，V = 1971(6)埃³，Z = 4，Dx = 1.23 Mg m-3，钼Kα，λ = 0.71069埃，μ = 0.097毫米-1，F(000) = 792，T = 296 K，对于3430个观察到的独立反射，R = 0.050，wR = 0.065。已通过X射线单晶方法确定了用于纳根霉素抗生素全合成的关键合成中间体的结构。其结构的特征是基本无应变的三环氧杂桥连八氢萘核、低能量的甲氧基甲基醚侧链构象以及羟基氢原子与甲氧基甲基醚氧原子之间的分子内氢键。分子间堆积接触小于范德华半径之和，由弱的C-H...O相互作用组成。
