Structure 1565982

1565967 << 1565982 >> 1565983
Original COD entry Download CIF Download DOT

Citation: Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J. (2022). Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells. Energy & Environmental Science, 15, pp. 645-659.

Formula: C98 H102 F6 N8 O2 S5

Cell parameters:

  • a = 24.0563(4) Å
  • b = 25.5964(4) Å
  • c = 43.2943(7) Å
  • α = 90°
  • β = 93.2500(10)°
  • γ = 90°

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: C468 H464 F40 N40 O10 S25 (C468 H464 F40 N40 O10 S25)

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;1)

Dimensionality: 1

Formula: C444 H414 F40 N40 O10 S25 (C444 H414 F40 N40 O10 S25)

span 1 {1 1 1}