Structure 4032173

4032152 << 4032173 >> 4032447
Original COD entry Download CIF Download DOT

Citation: Duedal, Troels; Nielsen, Kent A.; Olsen, Gunnar; Rasmussen, Charlotte B. G.; Kongsted, Jacob; Levillain, Eric; Breton, Tony; Miyazaki, Eigo; Takimiya, Kazuo; B\"ahring, Steffen; Jeppesen, Jan O. (2017). Very Strong Binding for a Neutral Calix[4]pyrrole Receptor Displaying Positive Allosteric Binding.. The Journal of organic chemistry, 82, pp. 2123-2128.

Formula: C96 H92 N4 O12 S24

Chemical name: 22-1 complex

Cell parameters:

  • a = 44.129(12) Å
  • b = 14.749(4) Å
  • c = 16.465(4) Å
  • α = 90°
  • β = 108.637(3)°
  • 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 0, entity 1 of 2

Basis: (1;0;1)

Dimensionality: 1

Formula: C168 H228 N8 S72 (C42 H57 N2 S18)

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;1)

Dimensionality: 1

Formula: C168 H228 N8 S72 (C42 H57 N2 S18)

span 1 {1 1 1}