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Shown are the decreasing proportion YbS-SSS-1 with the nitrobenzyl located on the corner of the macrocycle (red circles) and the corresponding increase in the proportion of YbS-SSS-1 with the nitrobenzyl group located on the side of the macrocycle (blue diamonds) as determined by 1H NMR as a sample of YbS-SSS-1 (with the nitrobenzyl group located on the corner of the macrocycle) is heated at pD1 and 90 °C.
