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. 2021 Feb 6;35:106850. doi: 10.1016/j.dib.2021.106850

Table 13.

Bond distances (Å) for compound 3.

Bond distances (Å)
C1-C6 1.379(5) C13-C18 1.378(3) C26-C27 1.372(4)
C1-C2 1.381(5) C13-C14 1.381(4) C26-N2 1.429(3)
C1-C7 1.518(5) C14-C15 1.379(4) C27-C28 1.388(5)
C2-C3 1.383(4) C14-H14 0.93 C27-H27 0.93
C2-H2 0.93 C15-C16 1.377(4) C28-C29 1.333(5)
C3-C4 1.379(4) C15-H15 0.93 C28-H28 0.93
C3-H3 0.93 C16-C17 1.377(4) C29-C30 1.349(6)
C4-C5 1.377(4) C16-C19 1.519(4) C29-F2 1.368(4)
C4-C8 1.518(4) C17-C18 1.384(4) C30-C31 1.385(5)
C5-C6 1.376(4) C17-H17 0.93 C30-H30 0.93
C5-H5 0.93 C18-H18 0.93 C31-H31 0.93
C6-H6 0.93 C19-H19A 0.96 C32-O2 1.226(3)
C7-H7A 0.96 C19-H19B 0.96 C32-O1 1.347(3)
C7-H7B 0.96 C19-H19C 0.96 C33-O1 1.447(3)
C7-H7C 0.96 C20-N1 1.392(3) C33-C34 1.475(5)
C8-N1 1.456(3) C20-C25 1.396(4) C33-H33A 0.97
C8-C9 1.536(3) C20-C21 1.401(4) C33-H33B 0.97
C8-H8 0.98 C21-C22 1.387(4) C34-C35 1.505(5)
C9-C10 1.491(3) C21-H21 0.93 C34-C36 1.527(5)
C9-H9A 0.97 C22-C23 1.362(5) C34-H34 0.98
C9-H9B 0.97 C22-H22 0.93 C35-H35A 0.96
C10-N2 1.356(3) C23-C24 1.361(5) C35-H35B 0.96
C10-C11 1.365(3) C23-F1 1.370(3) C35-H35C 0.96
C11-C32 1.443(3) C24-C25 1.382(4) C36-H36A 0.96
C11-C12 1.524(3) C24-H24 0.93 C36-H36B 0.96
C12-N1 1.468(3) C25-H25 0.93 C36-H36C 0.96
C12-C13 1.528(3) C26-C31 1.369(4) N2-H2A 0.87(3)
C12-H12 0.98 H(2A)••••O(2) 1.98(3) N(2)-H(2A)••••O(2) 2.675(3)