Table 9. Distances between the Aromatic Proton 3 and the Linker Protons 1′ and 2′ in Å in DFT-Optimized Structures of Different Conformers of Cryptophane-A.

T1T1T1	3	T2T2T2	3
1′	3.3	1′	3.6
1′	3.8	1′	2.8
2′	3.4	2′	3.6
2′	4.1	2′	2.8

G+G+G+	3	G–G–G–	3
1′	2.4	1′	2.5
1′	2.4	1′	3.3
2′	4.2	2′	2.1
2′	4.5	2′	3.7