Structure 2021019

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Citation: Gon\,calves, Karolina de Oliveira; Ribeiro, Leandro; de Oliveira, Cecilia Maria Alves; Carvalho, Jesiel Freitas; Martins, Felipe T. (2018). New solvates of the drug naltrexone: protonation, conformation and interplay of synthons. Acta Crystallographica Section C, 74, pp. -.

Formula: C44 H56 N2 O9

Chemical name: (4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-Cyclopropylmethyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1<i>H</i>-4,12-methanobenzofuro[3,2-<i>e</i>]isoquinolin-7-one diethyl ether hemisolvate

Cell parameters:

  • a = 12.5992(2) Å
  • b = 13.1093(3) Å
  • c = 26.6586(6) 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 8, entity 9 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C8 H20 O2 (C4 H10 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 9, entity 10 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C8 H20 O2 (C4 H10 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 10, entity 11 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C8 H20 O2 (C4 H10 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 11, entity 12 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C8 H20 O2 (C4 H10 O)

Multiplicity: 1

span 1 {1 1 1}