Structure 1544386

1544385 << 1544386 >> 1544387
Original COD entry Download CIF Download DOT

Citation: Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia (2017). Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method. Chem. Sci., 8, pp. 1547-.

Formula: C118.68 H134.52 Br0.86 Cl0.86 I12 N24 O1.71 Zn6

Chemical name: Cycloelatanene B with ZnI2-TPT crystalline sponge

Cell parameters:

  • a = 35.2593(5) Å
  • b = 14.8434(1) Å
  • c = 31.0697(4) Å
  • α = 90°
  • β = 101.611(1)°
  • γ = 90°

List type: interleaving

List: 3D

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 2

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

Dimensionality: 3

Formula: C144 H96 I48 N48 Zn18 (C24 H16 I8 N8 Zn3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: C144 H96 I48 N48 Zn18 (C24 H16 I8 N8 Zn3)

Multiplicity: 1

span 1 {1 1 1}