Structure 7246825

7246819 << 7246825 >> 7246879
Original COD entry Download CIF Download DOT

Citation: Lau, T. A.; Khorasani, S.; Fernandes, M. A. (2023). Forced topochemistry of a solid-state Diels--Alder reaction by encapsulation in epoxy glue. CrystEngComm, 25, pp. 3988-3997.

Formula: C30 H23 Br N2 O4 S2

Cell parameters:

  • a = 11.5260(10) Å
  • b = 11.8060(11) Å
  • c = 12.2903(11) Å
  • α = 63.453(4)°
  • β = 78.220(4)°
  • γ = 61.190(3)°

List type: noninterleaving

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 1

Basis: (1;0;0)

Dimensionality: 1

Formula: C74 H56 Br4 N4 O8 S4 (C37 H28 Br2 N2 O4 S2)

Multiplicity: 1

span 1 {1 1 1}