This dataset is linked to the epsrc DTP award EP/M508159. It consists of 4 files.
1. NMR data (zip file)
2. X-ray crystallographic information file (zip file)
3. GC-MS data file (zip)
4. DFT calculation data - XYZ coordinates of optimised geometries (zip)
Note that specialist programs are required to view the raw data provided: the NMR data in file 1 requires a program such as Topspin or Mestrelab to view. The X-ray crystallographic information (file 2) requires a program such as Mercury or Diamond. The GC-MS data requires a pdf reader such as Adobe or Foxit. The DFT calculation data in file 4 requires a program such as notepad to view.
Data embargo 01/09/19