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Synthesis and Crystal Structure of Dehydroandrographolide Dipolycyclophosphate
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作者 XU Hai-Wei WANG Jun-Feng LIU Hong-Min ZHANG Jian-Ye 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2005年第10期1198-1202,共5页
The title compound was synthesized and characterized by IR, NMR, HRSI-MS and MS, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal is of orthorhombic system (C40H52O11P2, Mr= 7... The title compound was synthesized and characterized by IR, NMR, HRSI-MS and MS, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal is of orthorhombic system (C40H52O11P2, Mr= 770.76), space group P21212, with a = 22.562(5), b = 29.224(6), c = 7.1953(14) A, V = 4744.2(16) A^3, Z = 4, Dc = 1.079 g/cm^3, F(000) = 1640 and μ = 0.141 mm^-1. The final R = 0.0758 and wR = 0.1778 for 2794 observed reflections with I 〉 20(I). Intermolecular hydrogen bonds are found between the O atom of carbonyl group and H atoms of olefinic carbon. The absolute configuration of this molecule was confirmed by comparison with that of the original material. 展开更多
关键词 crystal structure ANDROGRAPHOLIDE cyciophosphate SYNTHESIS
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