Structure 4128451

4128440 << 4128451 >> 4128514
Original COD entry Download CIF Download DOT

Citation: Aldrich, Thomas J.; Matta, Micaela; Zhu, Weigang; Swick, Steven M.; Stern, Charlotte L.; Schatz, George C.; Facchetti, Antonio; Melkonyan, Ferdinand S.; Marks, Tobin J. (2019). Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response.. Journal of the American Chemical Society, 141, pp. 3274-3287.

Formula: C96 H86 Br4 N4 O2 S4

Chemical name: ITIC-0F

Cell parameters:

  • a = 8.420(6) Å
  • b = 23.019(17) Å
  • c = 23.126(17) Å
  • α = 101.780(10)°
  • β = 95.319(10)°
  • γ = 91.105(14)°

List type: noninterleaving

List: 2D

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 1

Basis: (1;0;0 0;1;1)

Dimensionality: 2

Formula: C210 H226 N8 O4 S8 (C105 H113 N4 O2 S4)

span 1 {1 1 1}