Structure 1564808

1564796 << 1564808 >> 1564814
Original COD entry Download CIF Download DOT

Citation: Hossain, Muhammad Saddam; Sindt, Ammon J.; Goodlett, Dustin W.; Shields, Dylan J.; O’ Connor, Colin J.; Antevska, Aleksandra; Karakalos, Stavros G.; Smith, Mark D.; Garashchuk, Sophya; Do, Thanh D.; Gudmundsdottir, Anna D.; Shimizu, Linda S. (2021). Effects of Self-Assembly on the Photogeneration of Radical Cations in Halogenated Triphenylamines. The Journal of Physical Chemistry C, 125, pp. 19991-20002.

Formula: C39 H32 Cl2 N4 O

Cell parameters:

  • a = 18.4725(12) Å
  • b = 19.8765(13) Å
  • c = 8.9785(6) Å
  • α = 90°
  • β = 90°
  • 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 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C78 H62 Cl4 N8 O2 (C39 H31 Cl2 N4 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C78 H62 Cl4 N8 O2 (C39 H31 Cl2 N4 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C78 H62 Cl4 N8 O2 (C39 H31 Cl2 N4 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C78 H62 Cl4 N8 O2 (C39 H31 Cl2 N4 O)

Multiplicity: 1

span 1 {1 1 1}