Structure 4134145

4134111 << 4134145 >> 4134160
Original COD entry Download CIF Download DOT

Citation: de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C. (2020). Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.. Journal of the American Chemical Society, 142, pp. 3564-3576.

Formula: C68 H100 Cl6 F2 N2 O4 P2 Pd2 S2

Cell parameters:

  • a = 12.1932(7) Å
  • b = 13.1620(7) Å
  • c = 13.4651(8) Å
  • α = 64.568(5)°
  • β = 86.354(5)°
  • γ = 77.968(5)°

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: C90 H128 Cl18 F2 N4 O8 P2 Pd2 S4 (C45 H64 Cl9 F N2 O4 P Pd S2)

Multiplicity: 1

span 1 {1 1 1}