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.
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