Structure 4132042

4132033 << 4132042 >> 4132048
Original COD entry Download CIF Download DOT

Citation: Goh, Shermin S.; Champagne, Pier Alexandre; Guduguntla, Sureshbabu; Kikuchi, Takashi; Fujita, Makoto; Houk, K. N.; Feringa, Ben L. (2018). Stereospecific Ring Contraction of Bromocycloheptenes through Dyotropic Rearrangements via Nonclassical Carbocation-Anion Pairs.. Journal of the American Chemical Society, 140, pp. 4986-4990.

Formula: C128.45 H146.48 Br4.81 I12 N24 Zn6

Cell parameters:

  • a = 35.1167(5) Å
  • b = 14.8989(2) Å
  • c = 30.9479(4) Å
  • α = 90°
  • β = 101.3300(10)°
  • γ = 90°

List type: interleaving

List: 3D

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: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: C144 H96 I36 N48 Zn14 (C72 H48 I18 N24 Zn7)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: C144 H96 I36 N48 Zn14 (C72 H48 I18 N24 Zn7)

Multiplicity: 1

span 1 {1 1 1}