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. 2024 May 30;146(23):16332–16339. doi: 10.1021/jacs.4c05358

Table 1. Structural Parameters and Calculated Strain Energies for 5a–5c.

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  da θb POAV angle/° Ec/kcal mol–1
a b c d
5a 10.55 33.8 3.2 1.2 1.2 2.2 22.9
5b 10.78 29.4 2.6 1.2 1.5 2.0 19.7
5c 11.15 19.4 2.0 0.6 0.7 1.0 17.4
a

Nitrogen–nitrogen distance.

b

End-to-end bend angle.

c

Strain energy.