蒽基三苯基膦衍生物的晶体结构（英文）

Crystal Structure of an Anthryl Derivative Containing Triphenylphosphoranylidene

在室温下,成功培养了受体1 (C_(H^(70))F_(12)N_4O_4P_4)和2 (C_(58)H_(56)Cl_2N_2O_2P_2)的单晶,并用X射线单晶衍射仪进行表征。由单晶衍射数据可知,受体1属于三斜晶系,空间群Pī,其中,a=9. 107(3)?,b=13. 770(5)?,c=14. 229(5)?,α=110. 838(4)°,β=98. 861(3)°,γ=105. 898(4)°,Mr=1311. 12,V=1539. 9 (9)?~3,Z=1,D_c=1. 414 g/cm^(-3),μ=0. 21,F(000)=682,MoK_α射线(λ=0. 71073?),精修的最后结果 R=0. 0437,wR=0. 1119。1中共收集到了7197个衍射点,其中,可观测点有4778个。2属于单斜晶系,P2_1/n空间群,其中,a=10. 024(2)?,b=19. 897(4)?,c=12. 457(3)?,β=97. 401(4),Mr=945. 89,V=2463. 9 (9)?3,Z=2,Dc=1. 275 g/cm^(-3),μ=0. 24,F(000)=996,Mo K_α射线(λ=0. 71073?),精修的最后结果 R=0. 0667,wR=0. 1385。2中共收集到了5882个衍射点,其中,可观测点有5012个。

Two new crystals 1 (C 64 H 70 F 12 N 4O 4P 4) and 2 (C 58 H 56 Cl 2N 2O 2P 2) were obtained at room temperature successfully, and their structures were characterized by single-crystal X-ray diffraction. X-ray crystallography diffraction reveals that, the crystal of compound 1 belongs to triclinic, space group P ī, with a =9.107(3)A, b =13.770(5)A, c =14.229(5)A,α=110.838(4)°,β=98.861(3)°,γ=105.898(4)°, Mr =1311.12, V =1539.9 (9) 3, Z =1, D c =1.414 g/cm -3 ,μ=0.21, F (000)=682, MoK α radiation (λ=0.71073 ), the final R =0.0437 and wR =0.1119. A total of 7197 unique reflections were collected, of which 4775 with I > 2 σ(I) were observed. Compound 2 crystallizes is a monoclinic structure, space group P2 1/n , with a =10.024(2)A, b =19.897(4)A, c =12.457(3),β=97.401(4), Mr =945.89, V =2463.9 (9) 3, Z =2, D c =1.275 g/cm -3 ,μ=0.24, F (000)=996, Mo K α radiation (λ=0.71073 ), the final R =0.0667 and wR =0.1385. A total of 5882 unique reflections were collected, of which 5012 with I > 2σ(I) were observed.