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首页> 外文期刊>Chinese Journal of Structural Chemistry >Synthesis and Crystal Structure of 9-(4-Methoxylphenyl)-1,8-dioxo-3,4,5,6,7,9- hexahydroxanthene under Microwave Irradiation
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Synthesis and Crystal Structure of 9-(4-Methoxylphenyl)-1,8-dioxo-3,4,5,6,7,9- hexahydroxanthene under Microwave Irradiation

机译:微波辐射下9-(4-甲氧基苯基)-1,8-二氧代-3,4,5,6,7,9-六氢蒽的合成及晶体结构

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摘要

The crystal structure of the title compound (C_(20)H_(20)O_4, M_r = 324.36) has been determined by single-crystal X-ray diffraction. The crystal is of orthorhombic, space group Pbcn with a = 15.823(2), b = 18.002(3), c = 11.674(2) A, V = 3325.34(67) A~3, D_c = 1.296 g/cm~3, μ = 0.090 mm~(-1), Z= 8, F(000) = 1376, the final R = 0.0421 and wR = 0.0996. In the molecular structure, the pyran ring is of boat conformation, and the two six-membered rings fused with it adopt twisting-boat conformations.
机译:通过单晶X射线衍射确定了标题化合物的晶体结构(C_(20)H_(20)O_4,M_r = 324.36)。晶体是正交晶体,空间群Pbcn具有a = 15.823(2),b = 18.002(3),c = 11.674(2)A,V = 3325.34(67)A〜3,D_c = 1.296 g / cm〜3 ,μ= 0.090毫米〜(-1),Z = 8,F(000)= 1376,最终R = 0.0421和wR = 0.0996。在分子结构中,吡喃环具有船形构象,与之融合的两个六元环具有扭转船形构象。

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