Crystal structure and absolute configuration of a derivative of dothistromin, a fungal toxin implicated in pine-needle blight
Abstract
The bromoethyl ether tetra-acetate derivative of dothistromin crystallizes in space group P212121 with Z= 4 in a unit cell of dimensions: a= 6·050 ± 0·003, b= 38·194 ± 0·016, and c= 12·204 ± 0·005 Å. The structure was solved from X-ray diffractometer data by Patterson and Fourier methods and refined by block-diagonal least-squares techniques to R 0·075 for 840 independent reflections. The analysis shows a triacetoxyanthraquinone moiety joined to a cis-fused difuran system to give a linear arrangement of five- and six-membered rings. The absolute configuration of the molecule is also established.