Structure 4027224

4027174 << 4027224 >> 4027803
Original COD entry Download CIF Download DOT

Citation: Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao (2012). Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones. Journal of Organic Chemistry, 77, pp. 5022-5029.

Formula: C75 H48 O10

Chemical name: ?

Cell parameters:

  • a = 7.5014(3) Å
  • b = 11.7780(5) Å
  • c = 16.6978(6) Å
  • α = 109.783(2)°
  • β = 96.555(2)°
  • γ = 95.722(2)°

List type: noninterleaving

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 0, entity 1 of 1

Basis: (1;0;0)

Dimensionality: 1

Formula: C16 H8 O4 (C4 H2 O)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 3, 3, 5, 7, 9
  • 1, 2, 4, 3, 3, 4, 4, 5, 6, 6
  • 1, 2, 4, 5, 4, 3, 5, 7, 9, 9
  • 1, 2, 4, 5, 5, 4, 5, 6, 6, 8
  • 2, 3, 5, 8, 11, 11, 9, 6, 3, 3
  • 2, 4, 6, 8, 9, 6, 6, 8, 8, 9
  • 3, 4, 3, 3, 3, 3, 5, 7, 9, 9
  • 3, 4, 3, 3, 4, 4, 5, 6, 6, 8
  • 3, 4, 5, 4, 3, 5, 7, 9, 9, 8
  • 3, 4, 5, 5, 4, 5, 6, 6, 8, 11
  • 3, 4, 6, 8, 8, 9, 8, 6, 6, 5
  • 3, 5, 7, 8, 6, 4, 5, 8, 11, 11
  • 3, 6, 6, 4, 5, 7, 9, 9, 8, 9
  • 3, 6, 7, 5, 5, 6, 6, 8, 11, 11
span 1 {1 1 1}