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Four-layered [3.3]meta­cyclo­phane with ethene­tetra­carbo­nitrile

The title complex C(42)H(48)·2C(6)N(4) {systematic name: hepta­cyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]do­tetra­conta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodeca­ene–ethene­tetra­carbo­nitrile (1/2)}, consisting of four-layered [3.3]meta­cyclo­phane (MCP) with tw...

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Detalles Bibliográficos
Autores principales: Shibahara, Masahiko, Watanabe, Motonori, Goto, Kenta, Shinmyozu, Teruo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011271/
https://www.ncbi.nlm.nih.gov/pubmed/24860414
http://dx.doi.org/10.1107/S1600536814009362
Descripción
Sumario:The title complex C(42)H(48)·2C(6)N(4) {systematic name: hepta­cyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]do­tetra­conta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodeca­ene–ethene­tetra­carbo­nitrile (1/2)}, consisting of four-layered [3.3]meta­cyclo­phane (MCP) with two tetra­cyano­ethyl­ene (TCNE) mol­ecules, was grown from a mixture of MCP and TCNE in chloro­form solution. The four-layered [3.3]MCP has an S-shaped structure in which three [3.3]MCP moieties take syn-(chair-boat), anti-(chair-boat) and syn-(chair-boat) conformations. The two outer [3.3]MCP moieties with syn geometry contain benzene rings with a tilt of 32.95 (7)°. The central [3.3]MCP moiety has an anti geometry, in which the two benzene rings are oriented parallel to each other at a transannular distance of 2.31 Å. The TCNE mol­ecules are stacked on either side of the outer [3.3]MCP units at a distance of 3.19 Å on one side and 3.24 Å on the other, and showed 0.80:0.20 and 0.44:0.56 disorder, respectively.