Crystal and molecular structure of 2,3-benzo-1,4,7,13-tetraoxa-10-selenacyclopentadeca-2-ene

The crystal structure of 2,3-benzo-1,4,7,13-tetraoxa-10-selenacyclopentadeca-2-ene was de-termined,C_(14)H_(20)O_4Se,M_r:331.27,orthorhombic,Pbca,a=18.445(3),b=16.334(4),c9.232(2),V=2781.3 ~3,Z=8,Dx=1.582 Mg m~(-3),λ(Mo K_α)=0.71073 ,μ=26.77 cm~(-1),F(000)=1360,T=297 K,R=0.0329,R_w=0.0438 for 2192 reflections with I>3 σ(I).The crystal structure is closelyrelated to that of benzo-15-crown-5(at 123 K),whereas the molecular geometry of the two coronandsis different according to their torsion angles calculated and the shapes exhibited.

Crystal and molecular structure of 2,3-benzo-1,4,7,13-tetraoxa-10-selenacyclopentadeca-2-ene

The crystal structure of 2,3-benzo-1,4,7,13-tetraoxa-10-selenacyclopentadeca-2-ene was determined. C₁₄H₂₀O₄Se, M_r=331.27, orthorhombic, Pbca, a=18.445(3) Å, b=16.334(4) Å, c=9.232(2) Å, V=2781.3 ų, Z=8, D_x=1.582 Mg m^?3, λ(Mo K_α)equals;0.71073 Å, μequals;26.77 cm^?1, F(000)equals;1360, T=297 K, R=0.0329, R_w =0.0438 for 2192 reflections with I > 3 s?(I). The crystal structure is closely related to that of benzo-15-crown-5 (at 123 K), whereas the molecular geometry of the two coronands is different according to their torsion angles calculated and the shapes exhibited.