Crystal Structure of 6,6'-(3,3',5,5'-Tetra-tert-butylbiphenyl-2,2'-diyl)bis(oxy)didibenzo-[d,f]-[1,3,2]dioxaphosphepine  

作　　者：袁浩 郭浩然 朱丽琴 冯静 

机构地区：[1]Beijing Research Institute of Chemical Industry,SINOPEC

出　　处：《Chinese Journal of Structural Chemistry》2012年第5期673-676,共4页结构化学（英文）

基　　金：supported by the SINOPEC project (G6001-2-11ZS0460)

摘　　要：The title complex,6,6-（3,3,5,5-tetra-tert-butylbiphenyl-2,2-diyl）bis（oxy）di-di-benzo[d,f]-[1,3,2] dioxaphosphepine（C52H56O6P2·C6H14,Mr = 881.99）,was synthesized,and the structure was determined by X-ray single-crystal diffraction.The crystal belongs to the orthor-hombic system,space group Pbca,with a = 11.8400（13）,b = 25.381（3）,c = 34.243（4） ,V = 10290（2）（A°）^3,Z = 8,Dc = 1.139 g/cm^3,μ = 0.131 mm^-1,T = 152（2） K,F（000） = 3768,the final R = 0.0773 and wR = 0.1820 for 9721 observed reflections with I 〉 2σ（I）.The neighboring two molecules form a dimmer by face-to-face π…π interactions.The title complex,6,6-（3,3,5,5-tetra-tert-butylbiphenyl-2,2-diyl）bis（oxy）di-di-benzo[d,f]-[1,3,2] dioxaphosphepine（C52H56O6P2·C6H14,Mr = 881.99）,was synthesized,and the structure was determined by X-ray single-crystal diffraction.The crystal belongs to the orthor-hombic system,space group Pbca,with a = 11.8400（13）,b = 25.381（3）,c = 34.243（4） ,V = 10290（2）（A°）^3,Z = 8,Dc = 1.139 g/cm^3,μ = 0.131 mm^-1,T = 152（2） K,F（000） = 3768,the final R = 0.0773 and wR = 0.1820 for 9721 observed reflections with I 〉 2σ（I）.The neighboring two molecules form a dimmer by face-to-face π…π interactions.

关 键 词：diphosphite crystal structure HYDROFORMYLATION π…π interaction 

分 类 号：O621.2[理学—有机化学]