REAL MOLECULES AS MODELS FOR MATHEMATICAL CHEMISTRY .2. CRYSTALLOGRAPHIC DATA OF THE 2]-[AZACYCLOHEXACOSANE]-[CYCLOOCTACOSANE]-CATENANE

Well-shaped single crystals of the 2]-[azacyclohexacosane]-[cyclooctac osane]-catenane were crystallized from butyl acetate solution. Investi gating monocrystals with X-rays, we have found a tetragonal symmetry: a = b = 10.48 angstrom, c = 52.15 angstrom; four molecules per unit ce ll; space lattice type I41. The scattering intensities of the crystals had been extremely weak at higher theta values. We tried to calculate the structure with only 253 reflections and therefore the refinements (full matrix) converged to R = 0.15.