Table 1.

Low-energy conformers of compounds (R)-1 and (R)-2 calculated at ωB97X-D/def2-TZVP/PCM level with relative energies and populations.

	(R)-1			(R)-2
Conf. 1	Energy 2	Pop. 3	ϕ 4	Energy 2	Pop. 3	ϕ 4
#1	0	41.0	72.5	0	52.3	−61.6
#2	0.139	32.4	74.5	0.366	28.3	−70.7
#3	0.748	11.7	−60.4	0.592	19.4	−60.8
#4	0.996	7.69	156.3
#5	1.444	3.62	−66.8
#6	1.451	3.59	−61.7

¹ Structures shown in Figure 2; ² Internal energy in kcal/mol, relative to the absolute minimum for each compound; ³ Percent Boltzmann population at 300 K, estimated from internal energies; ⁴ Dihedral angle defined by carbon atoms 1″–1–1′–2′, in deg (indicated in Figure 2).