Structure 4022700

4022618 << 4022700 >> 4022856
Original COD entry Download CIF Download DOT

Citation: Christian A. Christensen; Andrei S. Batsanov; Martin R. Bryce (2007). Thiolated \p-Extended Tetrathiafulvalenes: Versatile Multifunctional \p-Systems. Journal of Organic Chemistry, 72, pp. 1301-1308.

Formula: C31 H32.5 N1.5 O4 S8

Chemical name: 9,10-Bis[4,5-bis(2-hydroxyethylthio)-1,3-dithiol-2-ylidene]-9,10-dihydroanthracene, acetonitrile solvate

Cell parameters:

  • a = 28.049(4) Å
  • b = 17.779(2) Å
  • c = 14.054(2) Å
  • α = 90.00°
  • β = 104.92(1)°
  • 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 4, entity 5 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C30 N4 (C15 N2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 5, entity 6 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C30 N4 (C15 N2)

Multiplicity: 1

span 1 {1 1 1}