The NMR shielding tensors were calculated at the GIAO -B3LYP /6-311++G** level of theory using the SMD continuum solvent model to include acetonitrile effects. To calculate the 13 C chemical shifts, a scaling factor of 1.0228 and a reference point TMS (180.7 ppm) were used , for calculation of the 15 N chemical shifts NH3 was used as a reference point (253.70 ppm) (Table -S8). Population analysis was done using the BP86-D3BJ/def2-TZVPP//BP86-D3BJ/def2-SVP level of theory in acetonitrile and NBO approach in acetonitrile. Non-covalent interactions were also analyzed using the SMD (acetonitrile), the BP86-D3BJ/def2-SVP level of theory and AIMAll program version 19.10.12 In Text Supplementary Material NMR Investigation of the P-10CSA Atropisomers Figure . H and 1 H-15 N HSQC NMR spectra obtained for 0% and 100% e.e. Pꞏ10CSA solutions (20 equivalents) in d3-acetonitrile. On the right side, a graphical illustration of Pꞏ10CSA atropisomers with corresponding point group notations, inner core system protons are highlighted in different colors correlating to the arrows marked in 1 H NMR spectra.