Structure 1555273

1555271 << 1555273 >> 1555282
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: C14 H20 O25.5

Cell parameters:

  • a = 11.4331(8) Å
  • b = 11.4331(8) Å
  • c = 11.4312(8) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: O168 (O)

Multiplicity: 1

Coordination sequences:

  • 4, 8, 17, 29, 39, 52, 68, 89, 116, 154
  • 4, 10, 18, 25, 39, 50, 70, 94, 118, 149
  • 4, 11, 20, 29, 38, 52, 74, 99, 128, 153
  • 5, 12, 23, 27, 35, 52, 70, 90, 113, 154
  • 5, 13, 22, 29, 36, 40, 59, 72, 122, 162
  • 6, 12, 18, 23, 36, 53, 79, 90, 115, 141
  • 6, 15, 25, 34, 38, 38, 54, 85, 143, 186
  • 7, 15, 28, 38, 37, 35, 42, 94, 148, 210
  • 8, 14, 20, 22, 38, 64, 80, 91, 97, 136
  • 8, 15, 18, 21, 38, 62, 83, 95, 105, 138
  • 8, 15, 19, 25, 35, 54, 68, 92, 110, 157
  • 9, 13, 16, 27, 35, 60, 77, 103, 114, 149
  • 10, 16, 16, 21, 42, 63, 89, 89, 106, 139
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