Accession Number : AD0702358

Title :   THE CRYSTAL STRUCTURE OF 8,16-OXIDO--cis(2,2)-METACYCLOPHANE-1,9-DIENE,

Corporate Author : NATIONAL RESEARCH COUNCIL OF CANADA OTTAWA (ONTARIO) DIV OF PURE PHYSICS

Personal Author(s) : Hanson,A. W. ; Huml,K.

Report Date : 02 DEC 1968

Pagination or Media Count : 7

Abstract : A crystal structure analysis of 8,16-oxido-cis(2.2)metacyclophane-1,9-diene has been carried out at -160C. The crystal is orthorhombic, Pbca, with a=11.96, b=17.13, c=10.67 A, Z=8, formula C16H10O. The structure was determined by computer-programmed symbolic addition procedures, and was refined by block-diagonal least-squares to a conventional R index of 0.069. Within the limits of experimental error the molecule has mm symmetry. It is folded to a dihedral form so that the angle between the six-membered rings is 123.6. Strain is inferred from the nonplanarity of these rings. The bond angle subtended by the oxygen atom is 99.7, and the length of the double bond in the C-C bridge is 1.359 A. (Author)

Descriptors :   (*OXYGEN HETEROCYCLIC COMPOUNDS, *CRYSTAL STRUCTURE), AROMATIC COMPOUNDS, POLYCYCLIC COMPOUNDS, GEOMETRY, CANADA

Subject Categories : Physical Chemistry
      Crystallography

Distribution Statement : APPROVED FOR PUBLIC RELEASE