Abstract
A simple application of theB3,0 formula is described. This formula is used mainly to avoid inconsistent Σ2-interactions in standard symbolic-addition or multiple-solution techniques. Computer time is reduced by a reflection selection procedure based upon the use of theB2,0 formula. The solution of a centrosymmetric structure is described. This compound, a photodimerization product ofo-distyrylbenzene, is 5,6,11,12-tetraphenyl-dibenzo[2–3,8–9] tricyclo[8,2,0,04,7] dodecadiene-2,8, C44H36. The compound crystallizes in the monoclinic space groupC2/c, with unit cell parametersa = 28.047,b = 9.504,c= 12.600 A and β = 103.4 °. A rather poor set of data was collected by an automatic diffractometer. Structural parameters were refined by full-matrix least-squares methods to anR-value of 0.06 for 970 non-zero reflections. The molecule is situated on a twofold rotation axis. It containscis-, trans-, cis-substituted puckered cyclobutane rings. The dihedral angle between the benzo-groups is 61.5 °.
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