Abstract The effect of the natural bite angle (β n) of diphosphane ligands on catalyst selectivity and activity in the palladium-catalyzed cross-coupling of sec-butyl magnesium chloride with bromobenzene was investigated. The calculated natural bite angles range from 78 for dppe (1, 2-bisdiphenylphosphanoethane) to 110 for Xantphos. The natural bite angle of diphosphane ligands has a large effect on catalyst selectivity and activity. Both ...