Structure 4132788

4132756 << 4132788 >> 4132805
Original COD entry Download CIF Download DOT

Citation: Ball, Melissa L.; Zhang, Boyuan; Xu, Qizhi; Paley, Daniel W.; Ritter, Virginia Cary; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin (2018). Influence of Molecular Conformation on Electron Transport in Giant, Conjugated Macrocycles.. Journal of the American Chemical Society, 140, pp. 10135-10139.

Formula: C54 H22 Br2 N4 O8

Cell parameters:

  • a = 15.4448(11) Å
  • b = 19.9037(13) Å
  • c = 26.3807(18) Å
  • α = 86.411(5)°
  • β = 82.181(6)°
  • γ = 79.782(6)°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (1;0;-1)

Dimensionality: 1

Formula: C378 H154 Br14 N28 O56 (C27 H11 Br N2 O4)

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;-1)

Dimensionality: 1

Formula: C378 H154 Br14 N28 O56 (C27 H11 Br N2 O4)

span 1 {1 1 1}