Introduction:
This repository contains the experimental data discussed in the manuscript:

A Protocol for NMR Analysis of the Enantiomeric Excess of Chiral Diols Using an Achiral Diboronic Acid Template
David A. Tickell, Emma V. Lampard, John P. Lowe, Tony D. James* and Steven D. Bull*
Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, U.K.
Email: t.d.james@bath.ac.uk ; s.d.bull@bath.ac.uk.

General:
This repository contains:
1)	Folders containing the 1H NMR, 13C NMR, 11B NMR (FID and PDF) and Mass Spectra for compound 1d and complexes of 1a, 1b, 1c, 1d, 1e and 1f with 1,3-phenyldiboronic acid.  
2)	A folder containing output files from energy minimisation and equilibrium geometry calculations using a semi-empirical (PM3) method to calculate the lowest energy conformations of the heterochiral (meso) and homochiral boronate esters (RR and SS) derived from 1-phenyl-1,3-propanediol 1c. 
3)	Curve in Excel format for using the measured de to obtain the ee of the sample.

Available data:
1) Spectra for 1a-1f
Folder: Complex with dimethyl tartrate 1a
	Folder: FID DATA - 1H NMR for complex with 1a
	Folder: FID DATA - 11B processed NMR of complex with 1a
	Folder: FID DATA - 11B unprocessed NMR of complex with 1a
	Folder: FID DATA - 13C NMR for complex with 1a
	PDF - 1H NMR for complex with 1a
	PDF - 11B processed NMR of complex with 1a
	PDF - 11B unprocessed NMR of complex with 1a
PDF - 13C NMR for complex with 1a
Folder: Complex with methyl-2,3-dihydroxy... 1b
	Folder: FID DATA - 1H NMR of complex with 1b
	Folder: FID DATA - 13C NMR of complex with 1b
	PDF - 1H NMR for complex with 1b
	PDF - 11B processed NMR of complex with 1b
PDF - 11B unprocessed NMR of complex with 1b
PDF - 13C NMR for complex with 1b
PDF - Mass spec of complex with 1b
Folder: Complex with 1-phenyl-1,3-propanediol 1c
	Folder: FID DATA - 1H NMR of complex with 1c
	Folder: FID DATA - 11B processed NMR of complex with 1c
	Folder: FID DATA - 11B unprocessed NMR of complex with 1c
	Folder: FID DATA - 13C NMR of complex with 1c
PDF - 1H NMR of complex with 1c
PDF - 11B processed NMR of complex with 1c
PDF - 11B unprocessed NMR of complex with 1c
PDF - 13C NMR of complex with 1c
Mass spec of complex with 1c
Folder: (rac)-1-phenylpropane-1,2-diol 1d
Folder: FID DATA - 1H NMR of (rac)-1-phenylpropane-1,2-diol 
Folder: FID DATA - 13C NMR of (rac)-1-phenylpropane-1,2-diol
PDF - 1H NMR of 1-phenylpropane-1,2-diol
PDF - 13C NMR of 1-phenylpropane-1,2-diol
PDF - Mass spec of 1-phenylpropane-1,2-diol
Folder: Complex with 1-phenyl-1,2-propanediol 1d
Folder: FID DATA - 1H NMR of complex with 1d
Folder: FID DATA - 11B processed NMR of complex with 1d
Folder: FID DATA - 11B unprocessed NMR of complex with 1d
Folder: FID DATA - 13C NMR of complex with 1d
1H NMR of complex with 1d
Folder: Complex with hydrobenzoin 1e
	Folder: FID DATA - 1H NMR of complex with 1e
	Folder: FID DATA - 11B processed NMR of complex with 1e
	Folder: FID DATA - 11B unprocessed NMR of complex with 1e
	Folder: FID DATA - 13C NMR of complex with 1e
PDF - 1H NMR of complex with 1e
PDF - 11B processed NMR of complex with 1e
PDF - 11B unprocessed NMR of complex with 1e
PDF - 13C NMR of complex with 1e
Folder: Complex with dibenzyl tartrate 1f
	Folder: FID DATA - 1H NMR of complex with 1f
Folder: FID DATA - 11B processed NMR of complex with 1f
Folder: FID DATA - 11B unprocessed NMR of complex with 1f
Folder: FID DATA - 13C NMR of complex with 1f
PDF - 1H NMR of complex with 1f
PDF - 11B processed NMR of complex with 1f
PDF - 11B unprocessed NMR of complex with 1f
PDF - 13C NMR of complex with 1f
2) 	Energy Minimisation Modelling Data
Folder: Energy Minimisation Modelling Data
	1-phenyl-1,3-propane diol homochiral RR
	1-phenyl-1,3-propane diol homochiral SS
	1-phenyl-1,3-propane diol meso
3) 	Curve for correlating de with ee
File Excel: Calibration Curve for correlating de with ee