Structure 4030406

4030363 << 4030406 >> 4030419
Original COD entry Download CIF Download DOT

Citation: Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro (2014). 1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes.. The Journal of organic chemistry, 80, pp. 1070-.

Formula: C45.5 H57 Cl3 I2 O2

Chemical name: ?

Cell parameters:

  • a = 19.5977(17) Å
  • b = 22.0686(17) Å
  • c = 12.5591(10) Å
  • α = 90.00°
  • β = 126.4940(10)°
  • γ = 90.00°

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 2

Basis: (1;0;1)

Dimensionality: 1

Formula: C8 Cl14 (C4 Cl7)

span 1 {1 1 1}

CIF datablock 5, entity 6 of 2

Basis: (1;0;1)

Dimensionality: 1

Formula: C8 Cl14 (C4 Cl7)

span 1 {1 1 1}