Table 4.
Inter-proton distances for the 11-spin system used in the SPINEVOLUTION simulations of the H2,H4 magnetization exchange
| H1 | H2 | H3 | H4 | H5 | H7a | H7b | |
|---|---|---|---|---|---|---|---|
| H2 | 2.35(A) | 4.06(B) 4.30(C) 2.95(D) |
2.48(A) |
2.76(C) 3.18(D) |
4.65(A) 2.31(C) |
5.35(A) | |
| H4 | 4.61(A) | 2.48(A) |
3.24(B) 2.84(C) 3.19(D) |
3.07(C) 4.89(D) |
2.32(A) 4.15(C) |
3.50(A) |
a
(A), (B), (C) and (D) refer to the labeling of the molecules in Fig. 6(d)
b
Intramolecular distances (within molecule A) are shown in bold
c
The closest distances to the next nearest nine 1H nuclei external to the central H2 and H4 nuclei are underlined