Structure 1550382

1550380 << 1550382 >> 1550383
Original COD entry Download CIF Download DOT

Citation: Pe\~nuelas-Haro, Guillem; Ballester, Pablo (2019). Efficient Hydrogen Bonding Recognition in Water using Aryl-extended Calix[4]pyrrole Receptors. Chemical Science, , pp. -.

Formula: C74 H87 Cl4 N7 O6 P2

Cell parameters:

  • a = 19.6411(4) Å
  • b = 19.6411(4) Å
  • c = 18.4185(5) 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 0, entity 1 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C94 H163 Cl12 N9 O6 P2 (C94 H163 Cl12 N9 O6 P2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C94 H163 Cl12 N9 O6 P2 (C94 H163 Cl12 N9 O6 P2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C94 H163 Cl12 N9 O6 P2 (C94 H163 Cl12 N9 O6 P2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C94 H163 Cl12 N9 O6 P2 (C94 H163 Cl12 N9 O6 P2)

Multiplicity: 1

span 1 {1 1 1}