Structure 1555268

1555264 << 1555268 >> 1555271
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 H6 O13.5

Cell parameters:

  • a = 25.869(4) Å
  • b = 16.419(3) Å
  • c = 3.6060(6) Å
  • α = 90°
  • β = 93.617(4)°
  • γ = 90°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: O42 (O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: O42 (O)

Multiplicity: 1

span 1 {1 1 1}