TY - JOUR ID - pittir19242 UR - http://d-scholarship-dev.library.pitt.edu/19242/ IS - 22 A1 - Timmons, C A1 - Wipf, P Y1 - 2008/11/21/ N2 - (Chemical Equation Presented) The 13C NMR shifts of 48 diazaphenanthrene-type alkaloids have been calculated at the B3LYP/6-311+G(2d,p) level of theory. The results support the structural reassignment of samoquasine A as 2. © 2008 American Chemical Society. JF - Journal of Organic Chemistry VL - 73 SN - 0022-3263 TI - Density functional theory calculation of 13C NMR shifts of diazaphenanthrene alkaloids: Reinvestigation of the structure of samoquasine A SP - 9168 AV - public EP - 9170 ER -