Structure 1555271

1555268 << 1555271 >> 1555273
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 H16.75 O11.38

Cell parameters:

  • a = 25.768(4) Å
  • b = 16.425(2) Å
  • c = 3.6006(5) Å
  • α = 90°
  • β = 93.333(4)°
  • 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 8, entity 9 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: O4 (O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 9, entity 10 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: O4 (O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 10, entity 11 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: O4 (O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 11, entity 12 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: O4 (O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 12, entity 13 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: O4 (O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 13, entity 14 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: O4 (O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 14, entity 15 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: O4 (O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 15, entity 16 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: O4 (O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 16, entity 17 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: O3 (O)

Multiplicity: 1

Coordination sequences:

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

CIF datablock 17, entity 18 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: O3 (O)

Multiplicity: 1

Coordination sequences:

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