Structure 1514610

1514521 << 1514610 >> 1514748
Original COD entry Download CIF Download DOT

Citation: Higashino, Tomohiro; Osuka, Atsuhiro (2013). 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base. Chemical Science, 4, pp. 1087-.

Formula: C75.78 H37.56 Cl3.56 F30 N6 S4

Cell parameters:

  • a = 16.1330(8) Å
  • b = 7.8286(5) Å
  • c = 29.8370(16) Å
  • α = 90.00°
  • β = 102.318(3)°
  • γ = 90.00°

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 2

Basis: (1;-1;0)

Dimensionality: 1

Formula: C116 H58 Cl8 F50 N8 S6 (C58 H29 Cl4 F25 N4 S3)

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;1;0)

Dimensionality: 1

Formula: C116 H58 Cl8 F50 N8 S6 (C58 H29 Cl4 F25 N4 S3)

span 1 {1 1 1}