Structure 1556945

1556892 << 1556945 >> 1556956
Original COD entry Download CIF Download DOT

Citation: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. (2019). Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.. Faraday discussions, 220, pp. 208-230.

Formula: C44 H48 Br4 O4 Ti

Cell parameters:

  • a = 22.370(3) Å
  • b = 22.370(3) Å
  • c = 9.5963(14) Å
  • α = 90°
  • β = 90°
  • 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 4, entity 5 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C8 (C)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 5, entity 6 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C8 (C)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 6, entity 7 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C8 (C)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 7, entity 8 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C8 (C)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}