Structure 4000067

4000066 << 4000067 >> 4000070
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: C13 H16 N3 O3 S

Chemical name: ?

Cell parameters:

  • a = 7.2214(10) Å
  • b = 7.5155(10) Å
  • c = 14.9226(19) Å
  • α = 88.007(2)°
  • β = 82.683(2)°
  • γ = 61.762(2)°

List type: noninterleaving

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 1

Basis: (1;0;0)

Dimensionality: 1

Formula: C24 (C)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 5, 7, 9, 9, 9, 9, 9, 7
  • 2, 4, 8, 12, 10, 8, 7, 8, 8, 9
  • 3, 4, 7, 9, 9, 8, 7, 9, 8, 7
  • 3, 5, 8, 8, 10, 9, 9, 9, 7, 7
  • 3, 6, 10, 11, 9, 6, 6, 6, 10, 10
  • 3, 7, 6, 9, 8, 10, 10, 8, 8, 6
  • 4, 5, 7, 9, 9, 9, 9, 9, 7, 7
  • 4, 9, 10, 9, 8, 7, 9, 8, 7, 9
  • 5, 7, 10, 8, 8, 10, 9, 8, 7, 6
  • 5, 8, 9, 9, 9, 7, 9, 8, 7, 9
  • 5, 8, 11, 9, 8, 7, 6, 8, 10, 9
  • 5, 9, 9, 7, 8, 10, 9, 8, 7, 6
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