Structure 4027174

4026817 << 4027174 >> 4027224
Original COD entry Download CIF Download DOT

Citation: Liang Zhang; David L. Hughes; Andrew N. Cammidge (2012). Discotic Triphenylene Twins Linked through Thiophene Bridges: Controlling Nematic Behavior in an Intriguing Class of Functional Organic Materials. Journal of Organic Chemistry, 77, pp. 4288-4297.

Formula: C58 H66 I2 O4

Chemical name: 2,11-bis-(CC-C6H4-I-3),-3,6,7,10-tetra-OC6H13-triphenylene

Cell parameters:

  • a = 35.7085(18) Å
  • b = 9.4740(5) Å
  • c = 32.0035(16) Å
  • α = 90.00°
  • β = 106.182(4)°
  • 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 0, entity 1 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C128 H168 I4 O8 (C32 H42 I O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C128 H168 I4 O8 (C32 H42 I O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C128 H168 I4 O8 (C32 H42 I O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C128 H168 I4 O8 (C32 H42 I O2)

Multiplicity: 1

span 1 {1 1 1}