Structure 1554028

1553709 << 1554028 >> 1554044
Original COD entry Download CIF Download DOT

Citation: Hathwar, Venkatesha R.; Thomsen, Maja K.; Mamakhel, Mohammad Aref H.; Fils\/o, Mette \/O; Overgaard, Jacob; Iversen, Bo B. (2016). Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxide.. The journal of physical chemistry. A, 120, pp. 7510-7518.

Formula: C50 H38

Cell parameters:

  • a = 25.335(5) Å
  • b = 25.335(5) Å
  • c = 9.7336(14) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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 6, entity 7 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C13 H14 (C13 H14)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 7, entity 8 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C13 H14 (C13 H14)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 8, entity 9 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C13 H14 (C13 H14)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 9, entity 10 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C13 H14 (C13 H14)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 10, entity 11 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C13 H14 (C13 H14)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 11, entity 12 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C13 H14 (C13 H14)

Multiplicity: 1

span 1 {1 1 1}