Data from: Asymmetric Ring Opening of Oxabicyclic Alkenes: Enhanced Rhodium Catalysis Using Camphor-Derived NHC Ligands Featuring Pyridine Coordination

The synthesis, characterization, and reactivity assessment of a chiral camphor-based Rh(I) catalyst functionalized with pyridine moiety is presented. The catalytic system was evaluated in the asymmetric ring-opening (ARO) of bicyclic alkenes substrates, ensuring high product yields and enantioselectivity. While the primary focus was on the use of indoles as nucleophiles in the ARO reaction, a broader scope of bicyclic substrates was also explored. The catalyst demonstrated tolerance toward various functional groups present in the indole derivatives, underscoring its broad synthetic utility in asymmetric synthesis.

The dataset contains the two zip Files “FID_ for Publication1.zip” + “FID_ for Publication2.zip”and contains the primary NMR data files (FID files, acquisition data, processing parameters) for the article: “Asymmetric Ring Opening of Oxabicyclic Alkenes: Enhanced Rhodium Catalysis Using Camphor-Derived NHC Ligands Featuring Pyridine Coordination” published in Journal of Organic Chemistry  https://doi.org/10.1021/acs.joc.5c02582. The article is published open access. 

In addition, a zip file "dft-orca-data.zip" is provided, which contains the DFT calculations raw data of compounds R-10, S-10, R-10-THF and S-10-THF. They were calculated with Orca 6.0.