The crystal structure and the absolute configuration of schelhammerine hydrobromide

Publisher Website
Google Scholar
Abstract
The structure of schelhammerine, an alkaloid isolated from Schelhammera pedunculata F. Muell., has been determined as its hydrobromide salt by x-ray diffraction analysis. The crystals are orthorhombic, space group P212121 with four molecules in the unit cell. The cell dimensions are a = 21.22, b = 9.64, c = 8.92 A taken at room temperature. The analysis was based on 818 reflec- tions, 636 of which were observed. The site of the bromide ion was determined from the three-dimensional Patterson function. The sites of C, Nand 0 atoms were determined from electron density and difference maps. The complete structure was then refined by the full-matrix least-squares method to a final R value of 0.147.