
%0 Journal Article
%A Gatehouse, BM 
%A Leverett, P 
%A Taylor, D 
%T Crystal and Molecular Structure of the Minor Cyclo-Dimerization Product of 8,8-Dimethylisobenzofulvene
%J Australian Journal of Chemistry
%D 1979/01/01
%V 32
%N 1
%P 211-216
%K 
%R https://doi.org/10.1071/CH9790211
%U https://www.publish.csiro.au/paper/CH9790211 
%X 8,8-Dimethylisobenzofulvene undergoes spontaneous cyclo-dimerization to give a mixture of two isomers of composition C24H24, The minor isomer crystallizes in the orthorhombic space group Pbca with a 16.815(8), b 16.975(8) and c 13.058(6)Å pobs 1.13(3)g cm-3, pealc 1.13 g cm-3 for Z 8. The structure was solved from diffractometer data by direct methods and was refined by full-matrix least squares to final residuals R 0.040, Rw 0.046 for 885 observed data. The stereochemistry of the minor dimer is established, contrary to theoretical predictions, as the exo-isomer. There is evidence of intramolecular steric strain particularly demonstrated by the elongated C-C single bonds, 1.590(7) and 1.570(7) Å, which are formed in the dimerization process. 
