Structure 1543366

1543297 << 1543366 >> 1543412
Original COD entry Download CIF Download DOT

Citation: Zhou, Qing-Fa; Zhang, Kui; Cai, Lingchao; Kwon, Ohyun (2016). Phosphine-Catalyzed Intramolecular Cyclizations of \a-Nitroethylallenoates Forming (Z)-Furanone Oximes.. Organic letters, 18, pp. 2954-2957.

Formula: C18.5 H22 Cl N O8

Chemical name: ?

Cell parameters:

  • a = 7.58050(10) Å
  • b = 17.2484(2) Å
  • c = 32.2950(4) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 8, entity 9 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C4 H8 Cl8 (C H2 Cl2)

Multiplicity: 1

Coordination sequences:

  • 1, 6, 5, 8, 12, 8, 12, 8, 12, 8
  • 2, 6, 6, 10, 8, 8, 12, 8, 12, 8
  • 2, 7, 4, 8, 11, 8, 12, 8, 12, 8
  • 2, 7, 6, 12, 8, 12, 8, 12, 8, 12
  • 4, 10, 8, 8, 12, 8, 12, 8, 12, 8
  • 5, 7, 7, 9, 7, 12, 8, 12, 8, 12
  • 5, 12, 8, 12, 8, 12, 8, 12, 8, 12
  • 7, 5, 8, 12, 8, 12, 8, 12, 8, 12
  • 7, 6, 8, 11, 8, 12, 8, 12, 8, 12
  • 7, 8, 12, 8, 12, 8, 12, 8, 12, 8
span 1 {1 1 1}

CIF datablock 9, entity 10 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C4 H8 Cl8 (C H2 Cl2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 10, entity 11 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C4 H8 Cl8 (C H2 Cl2)

Multiplicity: 1

Coordination sequences:

  • 1, 6, 5, 8, 12, 8, 12, 8, 12, 8
  • 2, 6, 6, 10, 8, 8, 12, 8, 12, 8
  • 2, 7, 4, 8, 11, 8, 12, 8, 12, 8
  • 2, 7, 6, 12, 8, 12, 8, 12, 8, 12
  • 4, 10, 8, 8, 12, 8, 12, 8, 12, 8
  • 5, 7, 7, 9, 7, 12, 8, 12, 8, 12
  • 5, 12, 8, 12, 8, 12, 8, 12, 8, 12
  • 7, 5, 8, 12, 8, 12, 8, 12, 8, 12
  • 7, 6, 8, 11, 8, 12, 8, 12, 8, 12
  • 7, 8, 12, 8, 12, 8, 12, 8, 12, 8
span 1 {1 1 1}

CIF datablock 11, entity 12 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C4 H8 Cl8 (C H2 Cl2)

Multiplicity: 1

Coordination sequences:

  • 1, 6, 5, 8, 12, 8, 12, 8, 12, 8
  • 2, 6, 6, 10, 8, 8, 12, 8, 12, 8
  • 2, 7, 4, 8, 11, 8, 12, 8, 12, 8
  • 2, 7, 6, 12, 8, 12, 8, 12, 8, 12
  • 4, 10, 8, 8, 12, 8, 12, 8, 12, 8
  • 5, 7, 7, 9, 7, 12, 8, 12, 8, 12
  • 5, 12, 8, 12, 8, 12, 8, 12, 8, 12
  • 7, 5, 8, 12, 8, 12, 8, 12, 8, 12
  • 7, 6, 8, 11, 8, 12, 8, 12, 8, 12
  • 7, 8, 12, 8, 12, 8, 12, 8, 12, 8
span 1 {1 1 1}