Structure 4000070

4000067 << 4000070 >> 4000078
Original COD entry Download CIF Download DOT

Citation: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. (2001). Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks. Chemistry of Materials, 13, pp. 3018-.

Formula: C23 H29 N6 O6 S2

Chemical name: ?

Cell parameters:

  • a = 6.2313(8) Å
  • b = 7.1774(10) Å
  • c = 14.736(2) Å
  • α = 78.793(2)°
  • β = 89.763(2)°
  • γ = 86.279(2)°

List type: interleaving

List: 1D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 1, entity 2 of 2

Basis: (1;0;0)

Dimensionality: 1

Formula: C24 (C)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 9, 11, 10, 9, 9, 12, 13, 7
  • 3, 5, 8, 10, 13, 9, 8, 10, 12, 13
  • 3, 6, 6, 7, 12, 12, 13, 9, 7, 10
  • 4, 7, 7, 6, 7, 10, 13, 9, 7, 9
  • 4, 7, 9, 5, 8, 11, 11, 9, 7, 10
  • 4, 8, 8, 7, 7, 11, 14, 11, 5, 7
  • 5, 5, 6, 9, 11, 13, 9, 8, 10, 11
  • 5, 6, 6, 7, 12, 11, 13, 9, 6, 10
  • 5, 6, 6, 10, 10, 13, 9, 7, 10, 11
  • 5, 6, 9, 9, 8, 10, 12, 12, 7, 7
  • 5, 9, 7, 6, 7, 10, 13, 10, 8, 7
  • 6, 8, 8, 4, 6, 13, 13, 10, 6, 6
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CIF datablock 2, entity 3 of 2

Basis: (1;0;0)

Dimensionality: 1

Formula: C24 (C)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 10, 11, 14, 9, 10, 11, 12, 8
  • 2, 6, 9, 12, 10, 12, 11, 9, 9, 11
  • 4, 7, 9, 13, 10, 8, 9, 12, 10, 9
  • 4, 7, 11, 8, 10, 14, 9, 8, 8, 10
  • 5, 7, 9, 10, 11, 10, 11, 8, 9, 10
  • 5, 9, 11, 12, 9, 9, 12, 9, 10, 9
  • 5, 9, 16, 9, 8, 8, 10, 13, 9, 8
  • 5, 11, 11, 12, 8, 9, 10, 10, 11, 8
  • 5, 12, 9, 9, 13, 10, 9, 8, 9, 12
  • 6, 7, 11, 10, 12, 13, 8, 8, 9, 11
  • 6, 8, 11, 9, 14, 10, 9, 8, 9, 12
  • 7, 9, 9, 9, 9, 14, 8, 8, 8, 10
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