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MINDO/3 study of some cyclooctatetraenes containing annelated cyclobutene and cyclobutadiene rings

1982; Elsevier BV; Volume: 89; Issue: 3-4 Linguagem: Inglês

10.1016/0166-1280(82)80086-9

1872-7999

Thomas C. W. Mak, Wai‐Kee Li,

Cyclization and Aryne Chemistry

MINDO/3 calculations indicate that a four-membered ring fused to cyclooctatetraene helps to flatten the eight-membered ring skeleton and that planarity is attained with two cyclobutene rings annelated at positions 1, 2, 5 and 6.