Conformational analysis of dioxa[2.2]orthocyclophanes

  • Kurebayashi H
  • Mine T
  • Harada K
 et al. 
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Conformations of dioxa[2.2]orthocyclophanes (5,8-dihydro-1,4- dibenzo[b,f]dioxocine) were examined by theoretical calculations and X-my crystallographic analysis. In the crystalline state a twist boat form was observed, which is identical to the structure predicted both by molecular mechanics and molecular orbital calculations. By contrast, an unique screw conformation was observed in a cyclophane having two dioxa[2.2]orthocyclophane units within the molecule in the crystalline state.

Author-supplied keywords

  • Conformation
  • Cyclophanes
  • Molecular mechanics
  • X-ray crystal structure

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  • Hirotaka Kurebayashi

  • Takakiyo Mine

  • Kanae Harada

  • Shuji Usui

  • Toshiya Okajima

  • Yoshimasa Fukazawa

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