Table 2. The upper and lower limits of S_mol, α and β values that are consistent with Δδ_av = 1.15 ± 0.10 and the 1D proton-coupled ¹⁹F NMR spectrum and ¹H–¹⁹F PISEMA spectrum in Fig. 5. Note that the values of α and β represent the upper and lower boundaries along a continuum, and not all possible angle combinations between the upper and lower limits are permitted.

S mol	[α, β]lower	[α, β]mid	[α, β]upper
1.0 (upper)	[153°, 49.5°]	[0°, 47.3°]	[27°, 49.5°]
	[153°, 130.5°]	[0°, 132.7°]	[27°, 130.5°]
0.8 (best)	[168°, 49.6°]	[0, 48.5°]	[12°, 49.6°]
	[168°, 130.4°]	[0, 131.5°]	[12°, 130.4°]
0.7 (lower)	[147°, 50.7°]	[±8°, 48.3°]	[33°, 50.7°]
	[147°, 129.7°]	[±8°, 131.7°]	[33°, 129.7°]