Structure 1503391

1503321 << 1503391 >> 1503627
Original COD entry Download CIF Download DOT

Citation: Gagnon, Eric; Rochefort, Alain; M\'etivaud, Val\'erie; Wuest, James D. (2010). Hexaphenylbenzenes as potential acetylene sponges.. Organic letters, 12, pp. 380-383.

Formula: C44 H30

Chemical name: 1-(3-Ethynylphenyl)-2,3,4,5,6-pentaphenylbenzene

Cell parameters:

  • a = 11.5889(5) Å
  • b = 21.2681(9) Å
  • c = 12.6708(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;0;1)

Dimensionality: 1

Formula: C52 H36 (C13 H9)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C52 H36 (C13 H9)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C52 H36 (C13 H9)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C52 H36 (C13 H9)

Multiplicity: 1

span 1 {1 1 1}