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Predicted H-bond length calculated by DFT at B3LYP 6-311G (d,p) basis set for 5a–g.
| Parameter | 5a Trans-Trans |
5b Trans-Trans |
5c Trans-Trans |
5d Trans-Trans |
5e Trans-Trans |
5f Trans-Trans |
5g Trans-Trans |
|---|---|---|---|---|---|---|---|
| H-bond length (Ǻ) | 1.73097 | 1.72869 | 1.72583 | 1.72985 | 1.72905 | 1.72551 | 1.72658 |
