The Crystal and Molecular Structure of the p-Bromobenzoate of Sterigmatocystin

Abstract
The crystals of the p-bromobenzoate of sterigmatocystin, C25H15O7Br, are monoclinic, with the space group of P21 and with two molecules per unit cell with the dimensions of a=13.062(7), b=9.029(4), c=8.942(4) Å, and β=102.25(5)°. The structure was refined by a least-squares method to R=0.055 for 1292 non-zero reflections. The absolute configuration of the molecule was determined by using the anomalous dispersion effect of the bromine atom. The absolute configuration of the bisdihydrofuran ring agrees with that in aflatoxin B1.