Structure 1555264

1555263 << 1555264 >> 1555268
Original COD entry Download CIF Download DOT

Citation: Cui, Peng; McMahon, David P.; Spackman, Peter R.; Alston, Ben M.; Little, Marc A.; Day, Graeme M.; Cooper, Andrew I. (2019). Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights. Chemical Science, 10, pp. 9988-.

Formula: C20.02 H28.86 O8

Cell parameters:

  • a = 16.429(3) Å
  • b = 16.429(3) Å
  • c = 7.3580(12) Å
  • α = 90°
  • β = 90°
  • γ = 90°

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 4, entity 5 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C8 (C)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 5, entity 6 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C8 (C)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 6, entity 7 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C8 (C)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 7, entity 8 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C8 (C)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}