Molecular structure and absolute configuration of (+)-(1R, 2S, 6R, 7S, 1′R)-5-(1′-phenylethylamino)-endo-tricyclo[5.2.1.0 2,6]deca-4,8-dien-3-one

Article abstract of DOI:10.1023/A:1021733108852

The crystal and molecular structure of (+)-(1R, 2S, 6R, 7S, 1′R)-5-(1′-phenylethylamino)-endo-tricyclo[5.2.1.0 ^2,6]deca-4,8-dien-3-one is described. Based on the known absolute configuration (R) of the α-phenylethylamine moiety the X-ray analysis revealed the absolute configuration of the title compound. The structure was refined to R₁ = 0.0298 for 1950 reflections (with I > 2σ(I)). Crystal data: C₁₈H₁₉NO, monoclinic, space group P2₁, a = 6.7406(4), b = 9.959(2), c = 11.3123(8)Ae, β = 102.969(5), V = 740.0(2)A³, and Z = 2.