Structure 1554186

1554139 << 1554186 >> 1554194
Original COD entry Download CIF Download DOT

Citation: Akin, Anne; Barilla, Mark T.; Brandt, Thomas A.; Brennan, John; Henegar, Kevin E.; Hoagland, Steve; Kumar, Rajesh; Magano, Javier; McInturff, Emma L.; Nematalla, Asaad; Piotrowski, David W.; Van Haitsma, Jared; Wei, Liuqing; Xiao, Jun; Yu, Shu (2019). Overcoming the Challenges of Making a Single Enantiomer N-1 Substituted Tetrazole Prodrug Using a Tin-Mediated Alkylation and Enzymatic Resolution. Organic Process Research & Development, 23, pp. 1167-.

Formula: C17 H31 I N6 Sn

Cell parameters:

  • a = 18.3878(3) Å
  • b = 12.7469(2) Å
  • c = 19.6536(3) Å
  • α = 90°
  • β = 93.7250(10)°
  • γ = 90°

List type: interleaving

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 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C48 H92 I2 N12 Sn2 (C24 H46 I N6 Sn)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C48 H92 I2 N12 Sn2 (C24 H46 I N6 Sn)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C34 H62 I2 N12 Sn2 (C17 H31 I N6 Sn)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C34 H62 I2 N12 Sn2 (C17 H31 I N6 Sn)

Multiplicity: 1

span 1 {1 1 1}