Stereochemistry of freelingyne [(4Z,6E)-9-(3-furyl)-2,6-dimethylnona-2,4,6-trien-8-yn-4-olide] by X-ray analysis

Abstract

The crystal structure of freelingyne was determined by X-ray diffraction from diffractometer data by direot methods. Crystals are triclinic, space group P, with Z= 2 in a unit cell of dimensions: a= 6.013 ± 0.004, b= 9.184 ± 0.005, c= 11.658 ± 0.006 Å, α= 94.93 ± 0.07, β= 100.51 ± 0.07, and γ= 100.35 ± 0.07°. The structure was refined by least squares to R 0.051 for 2 026 independent reflections. The stereochemistry of freelingyne was thus determined as 4Z, 6E.