
TY  - JOUR
A1  - Gatehouse, BM 
A1  - Leverett, P 
A1  - Taylor, D 
T1  - Crystal and Molecular Structure of the Minor Cyclo-Dimerization Product of 8,8-Dimethylisobenzofulvene
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1979
VL  - 32
IS  - 1
SP  - 211
EP  - 216
KW  - 
UR  - https://doi.org/10.1071/CH9790211 
N2  - 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. 
ER  -

