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Crystal Structure of 1,2:5,6-Di-O-isopropylidene-α-D-glucofuranosyl N,N-bis(2-chloroethyl) Phosphordiamidate
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作者 陈茹玉 王宏根 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 1994年第2期105-108,共4页
The title compound,1,2:5,6 di-O-isopropylidene-α-D-glucofuranosyl N,N-bis(2-chloroethyl) N'-isopropylphosphordiamidate(C19H35O7N2PCl2),was synthesized by a series of reactions, and its crystal structure was deter... The title compound,1,2:5,6 di-O-isopropylidene-α-D-glucofuranosyl N,N-bis(2-chloroethyl) N'-isopropylphosphordiamidate(C19H35O7N2PCl2),was synthesized by a series of reactions, and its crystal structure was determined by single crystal X-ray diffraction.The crystal is the orthorhombic space group P212121 with α=9. 996(3),b=22.149(5),c=11.858(3)A,V=2647.4A,Mr=505.4,Z=4,Dx=1.27 g/cm3, μ=3.4 cm-1,and F(000)=1080.The structure was solved by direct methods(SHELXS 86).The final refinement converged with unweighted and weighted agreement factors of 0.068 and 0. 072 for 2230 observed independent reflections with I≥3σ(I).The results of structure analysis indicate that the configuration of the chiral phosphorus atom is R-form. 展开更多
关键词 glucofuranosyl phosphordiamidate crystal structure
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O-半乳吡喃糖基N,N-二(2-氯乙基)磷酰二胺酯的合成及其晶体结构
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作者 陈茹玉 陈小茹 +1 位作者 王如骥 王宏根 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 1993年第10期1394-1398,共5页
为探讨糖基磷酰胺酯类化合物的抗肿瘤活性,用三氯氧磷作磷酰化试剂,合成了标题化合物.通过重结晶,分离出标题化合物的一个纯异构体.经X射线衍射单晶结构分析,该晶体属单斜晶系,空间群P2_1,a=1.3474(5)nm,b=1.0624(4)nm,c=1.6916(5)nm,β... 为探讨糖基磷酰胺酯类化合物的抗肿瘤活性,用三氯氧磷作磷酰化试剂,合成了标题化合物.通过重结晶,分离出标题化合物的一个纯异构体.经X射线衍射单晶结构分析,该晶体属单斜晶系,空间群P2_1,a=1.3474(5)nm,b=1.0624(4)nm,c=1.6916(5)nm,β=110.55(3)°,z=4,D_x=1.35g/cm^3.收集到独立衍射点4379个,其中2159个为可观测点.最终一致性因子R=0.079.结构分析结果表明,反应中形成的手性磷原子为R构型. 展开更多
关键词 半乳吡喃糖基 磷酰二胺酯 晶体结构
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