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3,6-双-O-乙酰膜荚黄芪苷元,C_(34)H_(54)O_7,属单斜晶系,空间群P2_1,晶胞参数为α=10.902(4),b=17.048(6),c=8.938(8)A,β=107.99(3)°,V=1580(1)A~3,Z=2,D_c=1.2l g·cm~(-3),D_m=1.18g·cm~(-3).结构由直接法解出,对2253个可观察衍射计算,R=0.061,R_w=0.068.结构测定表明,20-C和24-C的构型为R和S,C(16)的羟基上氢原子H(05)与C(25)的羟基上氧原子O(7)形成分子内氢键O(5)—H(05)…O(7),同时H(07)与另一个分子的羰基上氧O(2)形成分子间氢键O(7)—H(07)…O(2),通过分子间氢键,晶体中分子形成链状结构.
C_ (34) H_ (54) O_7 belongs to the monoclinic system with space group P2_1. The unit cell parameters are α = 10.902 (4), b = 17.048 (3) (3), V = 1580 (1) A~3, Z = 2, D_c = 1.2 lg · cm -3, D_m = 1.18 g · cm ~ (-3). The structure was solved by the direct method and calculated for 2253 observable diffractions, R = 0.061, R_w = 0.068. The structure determination indicated that the configurations of 20-C and 24-C were R and S, C (H) and O (7) on the hydroxyl of C (25) form intramolecular hydrogen bond O (5) -H (05) ... O ) Forms an intermolecular hydrogen bond O (7) -H (07) ... O (2) with oxygen O (2) on the carbonyl of another molecule, and molecules in the crystal form a chain structure through intermolecular hydrogen bonding.