Structure 2015062

2015033 << 2015062 >> 2015081
Original COD entry Download CIF Download DOT

Citation: Henning Osholm S\/orensen; Magnus Magnussen; Nicolai Stuhr-Hansen (2005). (E,E,E)-1,3,5-Tris[4-(acetylsulfanyl)styryl]benzene toluene hemisolvate. Acta Crystallographica Section C, 61, pp. o503-o505.

Formula: C39.5 H34 O3 S3

Chemical name: (E,E,E)-1,3,5-Tris[4-(acetylsulfanyl)styryl]benzene toluene hemisolvate

Cell parameters:

  • a = 38.419(3) Å
  • b = 6.8061(4) Å
  • c = 28.813(3) Å
  • α = 90.00°
  • β = 117.115(12)°
  • 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 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C14 H16 (C7 H8)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 9, entity 10 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C14 H16 (C7 H8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 7, 13, 8, 9, 14, 7, 9, 14
  • 1, 3, 6, 9, 13, 11, 7, 12, 11, 7
  • 1, 3, 9, 13, 10, 11, 10, 9, 11, 10
  • 1, 5, 8, 8, 10, 10, 9, 11, 10, 9
  • 1, 6, 7, 10, 15, 7, 9, 14, 7, 9
  • 2, 6, 6, 10, 15, 7, 9, 14, 7, 9
  • 3, 7, 6, 9, 14, 7, 9, 14, 7, 9
  • 3, 7, 8, 14, 11, 7, 12, 11, 7, 12
  • 3, 7, 13, 8, 9, 14, 7, 9, 14, 7
  • 4, 6, 9, 13, 11, 7, 12, 11, 7, 12
  • 4, 9, 13, 10, 11, 10, 9, 11, 10, 9
  • 5, 12, 11, 7, 12, 11, 7, 12, 11, 7
  • 6, 6, 9, 11, 10, 9, 11, 10, 9, 11
  • 6, 8, 8, 10, 10, 9, 11, 10, 9, 11
  • 7, 7, 10, 15, 7, 9, 14, 7, 9, 14
span 1 {1 1 1}

CIF datablock 10, entity 11 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C14 H16 (C7 H8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 7, 13, 8, 9, 14, 7, 9, 14
  • 1, 3, 6, 9, 13, 11, 7, 12, 11, 7
  • 1, 3, 9, 13, 10, 11, 10, 9, 11, 10
  • 1, 5, 8, 8, 10, 10, 9, 11, 10, 9
  • 1, 6, 7, 10, 15, 7, 9, 14, 7, 9
  • 2, 6, 6, 10, 15, 7, 9, 14, 7, 9
  • 3, 7, 6, 9, 14, 7, 9, 14, 7, 9
  • 3, 7, 8, 14, 11, 7, 12, 11, 7, 12
  • 3, 7, 13, 8, 9, 14, 7, 9, 14, 7
  • 4, 6, 9, 13, 11, 7, 12, 11, 7, 12
  • 4, 9, 13, 10, 11, 10, 9, 11, 10, 9
  • 5, 12, 11, 7, 12, 11, 7, 12, 11, 7
  • 6, 6, 9, 11, 10, 9, 11, 10, 9, 11
  • 6, 8, 8, 10, 10, 9, 11, 10, 9, 11
  • 7, 7, 10, 15, 7, 9, 14, 7, 9, 14
span 1 {1 1 1}

CIF datablock 11, entity 12 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C14 H16 (C7 H8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 7, 13, 8, 9, 14, 7, 9, 14
  • 1, 3, 6, 9, 13, 11, 7, 12, 11, 7
  • 1, 3, 9, 13, 10, 11, 10, 9, 11, 10
  • 1, 5, 8, 8, 10, 10, 9, 11, 10, 9
  • 1, 6, 7, 10, 15, 7, 9, 14, 7, 9
  • 2, 6, 6, 10, 15, 7, 9, 14, 7, 9
  • 3, 7, 6, 9, 14, 7, 9, 14, 7, 9
  • 3, 7, 8, 14, 11, 7, 12, 11, 7, 12
  • 3, 7, 13, 8, 9, 14, 7, 9, 14, 7
  • 4, 6, 9, 13, 11, 7, 12, 11, 7, 12
  • 4, 9, 13, 10, 11, 10, 9, 11, 10, 9
  • 5, 12, 11, 7, 12, 11, 7, 12, 11, 7
  • 6, 6, 9, 11, 10, 9, 11, 10, 9, 11
  • 6, 8, 8, 10, 10, 9, 11, 10, 9, 11
  • 7, 7, 10, 15, 7, 9, 14, 7, 9, 14
span 1 {1 1 1}