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Tetraacetyldiazidoacetylhexaazaisowurtzitane(TADAIW) was synthesized by hydrogenolysis debenzylation, chloroacetylation and azidation, starting with tetraacetyldibenzyl| hexaazaisowurtzitane(TADBIW) M r =531.5. Its crystal belongs to the monoclinic system and space group P2 1/n, with parameters: a=12.333(3), b=9.230(2), c=21^264(4), β=94.27(3)°, V=2413.8(8) 3, Z=4, D c =1.463g·cm -3 , F(000)=1112, μ (Mo Kα )=0^114mm -1 , λ =0.71073. The final refinement with 357 parameters and 4237 independent reflections gave R= 0.0722 and wR =0.1916. The cell contains four TADAIW molecules and two acetone molecules. TADAIW is a caged polycyclic molecule composed of two five membered rings and one six membered ring. The bond angles of N(51)-N(52)-N(53) and N(61)-N(62)-N(63) in the azidoacetyl groups are 170.9(7)° and 170.2(8)°, respectively.
Tetraacetyldiazidoacetylhexaazaisowurtzitane (TADAIW) was synthesized by hydrogenolysis debenzylation, chloroacetylation and azidation, starting with tetraacetyldibenzyl | hexaazaisowurtzitane (TADBIW) M r = 531.5. Its crystal belongs to the monoclinic system and space group P2 1 / n, with parameters: a = 12.333 Β = 94.27 (3) °, V = 2413.8 (8) 3, Z = 4, D c = 1.463 g · The final refinement with 357 parameters and 4237 independent reflections gave R = 0.0722 and wR = 0.1916. The final refinement with 357 parameters and 4237 independent reflections gave R = 0.0722 and wR = 0.1916. TADAIW is a caged polycyclic molecule composed of two five membered rings and one six membered rings. The bond angles of N (51) -N (52) -N (53) and N (61 ) -N (62) -N (63) in the azidoacetyl groups are 170.9 (7) ° and 170.2 (8) °, respectively.