The datasets provided are for the 1H NMR, 13C NMR and where relevant 31P NMR spectra of all compounds in the paper and the synthetic intermediates described in the supplementary information. The folder for each compound is labelled with the name used in the paper or for synthetic intermediates, the compound number given in the supplementary information. All folders contain raw data acquired on Bruker AVIII 400 and AVIII 500 spectrometers and can be processed using Bruker Topspin software. Some folders also contain MestReNova manipulatable files (.mnova). The compounds were prepared by Alexander H. Harkiss, Stuart T. Caldwell and Brendan Gallagher in the laboratory of Professor Richard C. Hartley, University of Glasgow.