Catechol[4]arene: The Missing Chiral Member of the Calix[4]arene Family

Data underlying the figures in the publication “Catechol[4]arene: The Missing Chiral Member of the Calix[4]arene Family”, published in Org. Lett. 2020, 22, 14, 5506–5510. https://pubs.acs.org/doi/10.1021/acs.orglett.0c01864

Table of contents:

1. Scheme1NMRDataCompounds.mnova; Processed NMR data of all new and key compounds depicted in Scheme 1.

2. Scheme1GeneralProcedures.txt; Synthetic procedures of all new and key compounds depicted in Scheme 1.

3. Figure2XRayStructure.cif; X-ray crystal structure of (±)-1 depicted in Figure 2. (requires a program such as Mercury to open)

4. Figure2GeneralProcedure.txt; Crystal data and experimental for X-ray crystal structure depicted in Figure 2.

5. Figure3CDSpectroscopyData.xlsx; Experimental and computational data used to generate graphs in Figure 3.

6. Figure3Calculations.txt; Calculations used to generate graphs in Figure 3.

7. Figure4NMRDataTitrations.mnova; Processed NMR spectra used to generate graphs in Figure 4.

8. Figure4GeneralProcedures.txt; General procedures for NMR titrations performed to generate data for Figure 4.

9. Figure4bTitrationData.xlsx; Excel sheet containing the compiled data and generate the graphs of the titration experiment depicted in Figure 4b.

10. Figure4cTitrationData.xlsx; Excel sheet containing the compiled data and generate the graphs of the titration experiment depicted in Figure 4c.

11. Figure5NMRDataCompounds.mnova; Processed NMR data on the compounds used as guests in Figure 5.

12. Figure5NMRDataTitrations.mnova; Processed NMR data on the host-guest titrations in Figure 5.

13. Figure5GeneralProcedures.txt; General procedures for the experiments depicted in Figure 5.

14. Figure6NMRData.mnova; Processed NMR data used to generate Figure 6.

15. Figure7NMRDataCompounds.mnova; Processed NMR data on the compounds used as guests in Figure 7.

16. Figure7NMRDataTitrations.mnova; Processed NMR data on the host-guest titrations in Figure 7.

17. Figure5GeneralProcedures.txt; General procedures for the experiments depicted in Figure 7.