Structure 7123319

7123318 << 7123319 >> 7123320
Original COD entry Download CIF Download DOT

Citation: Sindt, Ammon J.; Smith, Mark D.; Berens, Samuel; Vasenkov, Sergey; Bowers, Clifford; Shimizu, Linda S. (2019). Single-crystal-to-single-crystal guest exchange in columnar assembled brominated triphenylamine bis-urea macrocycles. Chemical Communications, , pp. -.

Formula: C45 H38.5 Br2 F0.5 N6 O2

Cell parameters:

  • a = 15.8857(6) Å
  • b = 4.6310(2) Å
  • c = 26.7350(10) Å
  • α = 90°
  • β = 99.910(2)°
  • γ = 90°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 2, entity 3 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C6 H5 F (C6 H5 F)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 5, 6, 6, 7, 5, 6
  • 1, 2, 5, 4, 6, 7, 8, 4, 5, 7
  • 1, 2, 5, 7, 6, 8, 6, 5, 5, 8
  • 1, 3, 5, 5, 8, 7, 6, 4, 7, 7
  • 2, 3, 6, 7, 5, 5, 5, 8, 6, 5
  • 3, 4, 7, 5, 6, 6, 7, 5, 6, 6
  • 3, 5, 4, 6, 7, 8, 4, 5, 7, 8
  • 3, 5, 7, 6, 8, 6, 5, 5, 8, 6
  • 3, 7, 7, 6, 4, 7, 7, 6, 4, 7
  • 4, 5, 5, 5, 7, 5, 6, 6, 7, 5
  • 4, 5, 5, 8, 7, 6, 4, 7, 7, 6
  • 4, 5, 8, 6, 5, 5, 8, 6, 5, 5
span 1 {1 1 1}

CIF datablock 3, entity 4 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C6 H5 F (C6 H5 F)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 5, 6, 6, 7, 5, 6
  • 1, 2, 5, 4, 6, 7, 8, 4, 5, 7
  • 1, 2, 5, 7, 6, 8, 6, 5, 5, 8
  • 1, 3, 5, 5, 8, 7, 6, 4, 7, 7
  • 2, 3, 6, 7, 5, 5, 5, 8, 6, 5
  • 3, 4, 7, 5, 6, 6, 7, 5, 6, 6
  • 3, 5, 4, 6, 7, 8, 4, 5, 7, 8
  • 3, 5, 7, 6, 8, 6, 5, 5, 8, 6
  • 3, 7, 7, 6, 4, 7, 7, 6, 4, 7
  • 4, 5, 5, 5, 7, 5, 6, 6, 7, 5
  • 4, 5, 5, 8, 7, 6, 4, 7, 7, 6
  • 4, 5, 8, 6, 5, 5, 8, 6, 5, 5
span 1 {1 1 1}