Structure 7222098

7222057 << 7222098 >> 7222106
Original COD entry Download CIF Download DOT

Citation: Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C. (2015). A single-crystal-to-single-crystal Diels--Alder reaction with mixed topochemical and topotactic behaviour. CrystEngComm, 17, pp. 8933-.

Formula: C28 H19 Br N2 O4 S2

Cell parameters:

  • a = 12.7053(8) Å
  • b = 23.1346(14) Å
  • c = 8.5162(5) Å
  • α = 90°
  • β = 103.246(4)°
  • γ = 90°

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: (0;0;1)

Dimensionality: 1

Formula: C60 H50 Br4 N4 O8 S4 (C30 H25 Br2 N2 O4 S2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C60 H50 Br4 N4 O8 S4 (C30 H25 Br2 N2 O4 S2)

Multiplicity: 1

span 1 {1 1 1}