Absolute Configuration of 3,3′-Diphenyl-[2,2′-binaphthalene]-1,1′-diol Revisited

The experimental vibrational circular dichroism, electronic circular dichroism, and optical rotatory dispersion spectra and corresponding quantum chemical predictions of 3,3′-diphenyl-[2,2′-binaphthalene]-1,1′-diol (VANOL) are used to confirm its absolute configuration as (+)589-(aR) or (−)589-(aS). A discrepancy in the literature crystal structure has been resolved by determining the X-ray crystal structure of the brucine binaphtholphosphate salt of the (aS)-enantiomer of VANOL.