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. Author manuscript; available in PMC: 2020 Mar 22.
Published in final edited form as: J Org Chem. 2018 Oct 17;83(21):13256–13266. doi: 10.1021/acs.joc.8b02070

Table 5.

Conformational distribution of different diastereomers of 1

Stereochemistry Number of lowest energy conformers (Boltzmann Populations, %)
C8SC6S 12 (48.7, 15.3, 8.6, 5.9, 5.7, 3.8, 3.6, 2.1, 1.7, 1.7, 1.6, 1.4)
C8SC6R 9 (57.5, 30.5, 2.8, 1.9, 1.7, 1.5, 1.5, 1.4, 1.2)
C8RC6S 8 (43.3, 32.7, 7.1, 5.2, 4.2, 3.3, 2.7, 1.6)
C8RC6R 12 (53.9, 9.2, 7.6, 6.9, 5.6, 4.0, 3.4, 2.9, 1.8, 1.7, 1.5, 1.4)