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Synthesis and Crystal Structure of Dehydroandrographolide Dipolycyclophosphate

Synthesis and Crystal Structure of Dehydroandrographolide Dipolycyclophosphate
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摘要 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. 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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2005年第10期1198-1202,共5页 结构化学(英文)
关键词 crystal structure ANDROGRAPHOLIDE cyciophosphate SYNTHESIS crystal structure, andrographolide, cyciophosphate, synthesis
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