Structure 1555263

1555255 << 1555263 >> 1555264
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: C9 H10.5 O8.25

Cell parameters:

  • a = 3.5960(9) Å
  • b = 8.934(2) Å
  • c = 17.937(4) Å
  • α = 77.839(7)°
  • β = 86.729(7)°
  • γ = 88.967(7)°

List type: noninterleaving

List: 1D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 2, entity 3 of 1

Basis: (1;0;0)

Dimensionality: 1

Formula: O10 (O)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 7, 6, 9, 6, 6, 8, 6, 6
  • 2, 5, 9, 6, 6, 8, 6, 6, 8, 6
  • 4, 7, 6, 9, 6, 6, 8, 6, 6, 8
  • 4, 7, 8, 6, 7, 7, 6, 7, 7, 6
  • 5, 7, 7, 6, 7, 7, 6, 7, 7, 6
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