Structure 7245502

7245501 << 7245502 >> 7245505
Original COD entry Download CIF Download DOT

Citation: George, Gary C.; Unruh, Daniel K.; Hutchins, Kristin M. (2022). Use of a Diels--Alder reaction to modify thermal expansion properties in charge-transfer cocrystals. CrystEngComm, , pp. -.

Formula: C28 H19 Br N2 O4 S2

Cell parameters:

  • a = 12.6744(2) Å
  • b = 23.0269(3) Å
  • c = 8.48040(10) Å
  • α = 90°
  • β = 103.198(2)°
  • 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 S6 (C30 H25 Br2 N2 O4 S3)

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 S6 (C30 H25 Br2 N2 O4 S3)

Multiplicity: 1

span 1 {1 1 1}