Absolute configuration of (1R,3S,8R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3]dodec-9-en-11-ol

Abstract

Key indicators: single-crystal X-ray study; T = 173 K; mean (C-C) = 0.002 Å; disorder in main residue; R factor = 0.037; wR factor = 0.098; data-to-parameter ratio = 14.0.The absolute configuration of the title compound, C 16 H 26 O, was determined as (1R,3S,8R,11R) based mainly on the synthetic pathway but is also implied by the X-ray analysis. The molecule contains fused six-and seven-membered rings. Part of the seven-membered ring was refined as disordered over two sets of sites with the occupancy ratio fixed at 0.86:0.14. The disorder corresponds to a major chair conformation and a minor boat conforation. In the crysyal, O-HÁ Á ÁO hydrogen bonds connect the molecules into chains parallel to the a axis. Table 1 Hydrogen-bond geometry (Å , ). Related literature ReferencesAgilent (2012). CrysAlis PRO.