Structure 8101708

8101688 << 8101708 >> 8101709
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Citation: R. Wartchow; S. Roeper; H. M. R. Hoffmann (2005). Crystal structures of ethanol hemisolvates of (1S,3R,4S,8S,9R)-1N-boranyl-6'- methoxy-cinchonan-9-ol, C~20~H~27~BN~2~O~2~ · ½C~2~H~5~OH, and (1S,3S,4S,8S,9R)-1N-boranyl-10,11-didehydro-6'-methoxy-cinchonan-9-ol, C~20~H~25~BN~2~O~2~ · ½C~2~H~5~OH. Zeitschrift f\"ur Kristallographie - New Crystal Structures, 220, pp. 89-92.

Formula: C21 H30 B N2 O2.5

Chemical name: (1S,3R,4S,8S,9R)-1N-boranyl-6'-methoxy-cinchonan-9-ol ethanol hemisolvate

Cell parameters:

  • a = 26.759(5) Å
  • b = 26.759(5) Å
  • c = 7.431(2) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

List type: interleaving

List: 1D

Combined 3D structure and graph

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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C12 H36 O6 (C2 H6 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C12 H36 O6 (C2 H6 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C12 H36 O6 (C2 H6 O)

Multiplicity: 1

span 1 {1 1 1}