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. 2021 Sep 3;11(47):29668–29674. doi: 10.1039/d1ra05116d

The distances between heavy atoms of analyzed cation in Å.

Atoms DFT Exp.
C1–N11 1.329 1.319
C1–O14 1.362 1.382
C1–N3 1.294 1.299
N3–N6 1.380 1.392
O14–C2 1.343 1.348
N6–C7 1.452 1.458
C2–C15 1.413 1.431
C15–C5 1.442 1.431
C5–C18 1.488 1.486
C5–N17 1.291 1.301
N17–O16 1.412 1.441
O16–C4 1.312 1.343
C4–C15 1.388 1.385
C4–N22 1.343 1.333