Access to Unsaturated Bicyclic Lactones by Overriding Conventional C(sp3)–H Site Selectivity

This folder /final_xyz/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper "Access to Unsaturated Bicyclic Lactones by Overriding Conventional C(sp3)-H Site Selectivity" Where conformers occur, they are always named from the lowest Gibbs energy to the highest in ascending order from c1 (sometimes omitted), c2, c3, ...