Structure 1569431

1569424 << 1569431 >> 1569439
Original COD entry Download CIF Download DOT

Citation: Nandi, Rhituparna; Niyogi, Sovan; Kundu, Sourav; Gavit, Vipin R.; Munda, Mintu; Murmu, Ranjit; Bisai, Alakesh (2023). Total synthesis of atropisomeric indolosesquiterpenoids via N-N bond formation: dixiamycins A and B.. Chemical science, 14, pp. 8047-8053.

Formula: C26 H27 N2 O9

Chemical name: methyl (1S,2S,4aS)-1,4a-dimethyl-7-nitro-2-(nitrooxy)-6-phenyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate

Cell parameters:

  • a = 6.08080(10) Å
  • b = 13.2575(2) Å
  • c = 31.0012(5) 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 4, entity 5 of 2

Basis: (1;0;0)

Dimensionality: 1

Formula: C4 O2 (C2 O)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 4, 2, 4, 2, 4, 2, 4, 2
  • 3, 3, 3, 3, 3, 3, 3, 3, 3, 3
span 1 {1 1 1}

CIF datablock 5, entity 6 of 2

Basis: (1;0;0)

Dimensionality: 1

Formula: C4 O2 (C2 O)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 4, 2, 4, 2, 4, 2, 4, 2
  • 3, 3, 3, 3, 3, 3, 3, 3, 3, 3
span 1 {1 1 1}