Structure 7050498

7050470 << 7050498 >> 7050512
Original COD entry Download CIF Download DOT

Citation: Shah, Shashin; Eichler, Barrett E.; Smith, Rhett C.; Power, Philip P.; Protasiewicz, John D. (2003). Synthesis and solid state structures of increasingly sterically crowded 1,4-diiodo-2,3,5,6-tetraarylbenzenes: a new series of bulky benzenes and aryls. New Journal of Chemistry, 27, pp. 442-.

Formula: C45.5 H48 I2

Cell parameters:

  • a = 8.3261(6) Å
  • b = 31.196(2) Å
  • c = 31.772(2) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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 8, entity 9 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: C14 (C)

Multiplicity: 1

Coordination sequences:

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

CIF datablock 9, entity 10 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: C14 (C)

Multiplicity: 1

Coordination sequences:

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

CIF datablock 10, entity 11 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: C14 (C)

Multiplicity: 1

Coordination sequences:

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

CIF datablock 11, entity 12 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: C14 (C)

Multiplicity: 1

Coordination sequences:

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

CIF datablock 12, entity 13 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: C14 (C)

Multiplicity: 1

Coordination sequences:

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

CIF datablock 13, entity 14 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: C14 (C)

Multiplicity: 1

Coordination sequences:

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

CIF datablock 14, entity 15 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: C14 (C)

Multiplicity: 1

Coordination sequences:

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

CIF datablock 15, entity 16 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: C14 (C)

Multiplicity: 1

Coordination sequences:

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