211 30 2994 1 7464 document 2994 A_Protocol_for_NMR_Analysis_of_the_Enantiomeric_Excess_of_Chiral_Diols.zip application/zip e458abea07553a3c9f3fa4b7ea25fc2a MD5 15109241 2016-06-29 15:27:22 https://researchdata.bath.ac.uk/211/3/A_Protocol_for_NMR_Analysis_of_the_Enantiomeric_Excess_of_Chiral_Diols.zip 211 3 3 application/zip other en public

A_Protocol_for_NMR_Analysis_of_the_Enantiomeric_Excess_of_Chiral_Diols.zip

data 2995 1 7467 document 2995 README.rtf text/rtf 5a3fecf4b36c2afcd495053120dc47e1 MD5 63315 2016-06-29 15:43:27 https://researchdata.bath.ac.uk/211/4/README.rtf 211 4 4 text/rtf other en public

README.rtf

documentation archive 632 disk0/00/00/02/11 2016-07-14 11:18:06 2024-07-15 10:58:02 2016-07-14 11:18:06 data_collection show Tickell David D.A.Tickell@bath.ac.uk University of Bath TRUE Lampard Emma E.V.Lampard@bath.ac.uk University of Bath FALSE Lowe John J.Lowe@bath.ac.uk 0000-0003-4820-251X University of Bath FALSE James Tony T.D.James@bath.ac.uk 0000-0002-4095-2191 University of Bath FALSE Bull Steven S.D.Bull@bath.ac.uk 0000-0001-8244-5123 University of Bath FALSE dept_bio dept_chem This repository contains the experimental data discussed in the manuscript. Including, 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. 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. A calibration curve in Excel format for using the measured de to obtain the absolute ee of the sample. 2016 University of Bath public RightsHolder University of Bath Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/G03768X/1 Doctoral Training Centre in Sustainable Chemical Technologies en 1 10.15125/BATH-00211 https://doi.org/10.1021/acs.joc.6b01005 pub open