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. 2018 May 29;8(35):19754–19764. doi: 10.1039/c8ra01827h

Hydrogen bonds for 17082.

D H A d(D–H)/Å d(H–A)/Å d(D–A)/Å D–H–A/°
C6 H6 O1a 0.93 2.55 3.278(5) 135.0
C22 H22 O1b 0.93 2.50 3.363(5) 155.4
N1 H1N O1 0.99(6) 1.68(6) 2.547(4) 144(4)
O2 H1O N2 0.93(6) 1.76(6) 2.580(5) 146(6)
a

1 − X, 1 − Y,1/2 + Z.

b

+X, 1 + Y, +Z.