Structure 1567342

1567277 << 1567342 >> 1567378
Original COD entry Download CIF Download DOT

Citation: Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng (2022). Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells. Energy & Environmental Science, 15, pp. 3519-3533.

Formula: C104 H120 Cl6 N8 O2 S4

Cell parameters:

  • a = 15.4157(17) Å
  • b = 17.5066(17) Å
  • c = 19.617(2) Å
  • α = 95.374(6)°
  • β = 102.990(7)°
  • γ = 104.699(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: C113 H141 Cl6 N8 O2 S4 (C113 H141 Cl6 N8 O2 S4)

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;1)

Dimensionality: 1

Formula: C104 H120 Cl6 N8 O2 S4 (C52 H60 Cl3 N4 O S2)

span 1 {1 1 1}