Fig. 3: Atropisomer conversion process of OC-4.
From: Controlled interconversion of macrocyclic atropisomers via defined intermediates
a Conversion of C2v- to C4v-OC-4 at 393 K in TCE-d2. b Expanded view of time-dependent 1H NMR (700 MHz) spectra of C2v-OC-4 (5.00 × 10−3 M) in TCE-d2 after warming at 393 K. c Time-dependent speciation plots for C2v- (red dot and line), C1- (purple dot and line), Cs- (green dot and line), C2- (orange dot and line) and C4v-OC-4 (blue dot and line) after heating C2v-OC-4 (5.00 × 10−3 M) at 393 K. d Schematic representation of the method used to obtain single crystals of intermediate Cs-OC-4. e Top and side views of Cs-OC-4 of the single crystal structure of [Cs-OC-4•n-hexane] in stick form.
