Fig. 12. Predicted CD spectra of (R)-oP6(o-tBu), (R)-oP6(o-iPr), (S)-oP6(o-Et), and (S)-oP6(o-Bo) (black). Experimental spectra (gray) were scaled identically (i.e., relative intensities can be directly compared). The simulated spectra were generated by estimating the contributions of the calculated spectra for (M)-oP6(o-H) (Fig. 11) using the conformer populations and diastereomeric excesses determined by 1H NMR (Table 2).
