Structure 7207248

7207247 << 7207248 >> 7207251
Original COD entry Download CIF Download DOT

Citation: Berger, Ricarda; Hauser, J\"urg; Labat, Ga\"el; Weber, Edwin; Hulliger, J\"urg (2012). New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation. CrystEngComm, 14, pp. 768-.

Formula: C43.8 H29.49 Br3 N3

Cell parameters:

  • a = 39.8459(11) Å
  • b = 3.84340(10) Å
  • c = 46.6728(18) Å
  • α = 90.00°
  • β = 104.3980(10)°
  • γ = 90.00°

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: (0;1;0)

Dimensionality: 1

Formula: C14 H16 (C7 H8)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 17, 23, 18, 21, 25, 15, 20, 25
  • 1, 7, 18, 21, 19, 22, 23, 16, 21, 23
  • 1, 8, 18, 27, 24, 18, 21, 25, 15, 20
  • 1, 8, 18, 28, 22, 19, 22, 23, 16, 21
  • 2, 10, 20, 21, 28, 16, 20, 25, 15, 20
  • 2, 10, 20, 22, 26, 17, 21, 23, 16, 21
  • 2, 11, 20, 24, 25, 15, 20, 25, 15, 20
  • 2, 11, 20, 25, 23, 16, 21, 23, 16, 21
  • 3, 16, 18, 20, 25, 15, 20, 25, 15, 20
  • 3, 16, 18, 21, 23, 16, 21, 23, 16, 21
  • 4, 18, 15, 20, 25, 15, 20, 25, 15, 20
  • 5, 17, 18, 28, 22, 13, 29, 19, 12, 29
  • 5, 21, 17, 29, 19, 12, 29, 19, 12, 29
  • 6, 20, 31, 16, 29, 19, 12, 29, 19, 12
  • 6, 21, 30, 16, 29, 19, 12, 29, 19, 12
  • 8, 17, 23, 18, 21, 25, 15, 20, 25, 15
  • 8, 18, 21, 19, 22, 23, 16, 21, 23, 16
  • 9, 18, 27, 24, 18, 21, 25, 15, 20, 25
  • 9, 18, 28, 22, 19, 22, 23, 16, 21, 23
  • 10, 18, 15, 29, 19, 12, 29, 19, 12, 29
  • 11, 21, 21, 28, 16, 20, 25, 15, 20, 25
  • 11, 21, 22, 26, 17, 21, 23, 16, 21, 23
  • 11, 27, 22, 13, 29, 19, 12, 29, 19, 12
  • 13, 21, 23, 25, 15, 20, 25, 15, 20, 25
  • 13, 21, 24, 23, 16, 21, 23, 16, 21, 23
  • 15, 21, 22, 23, 16, 21, 23, 16, 21, 23
  • 16, 20, 21, 25, 15, 20, 25, 15, 20, 25
span 1 {1 1 1}

CIF datablock 9, entity 10 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C14 H16 (C7 H8)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 17, 23, 18, 21, 25, 15, 20, 25
  • 1, 7, 18, 21, 19, 22, 23, 16, 21, 23
  • 1, 8, 18, 27, 24, 18, 21, 25, 15, 20
  • 1, 8, 18, 28, 22, 19, 22, 23, 16, 21
  • 2, 10, 20, 21, 28, 16, 20, 25, 15, 20
  • 2, 10, 20, 22, 26, 17, 21, 23, 16, 21
  • 2, 11, 20, 24, 25, 15, 20, 25, 15, 20
  • 2, 11, 20, 25, 23, 16, 21, 23, 16, 21
  • 3, 16, 18, 20, 25, 15, 20, 25, 15, 20
  • 3, 16, 18, 21, 23, 16, 21, 23, 16, 21
  • 4, 18, 15, 20, 25, 15, 20, 25, 15, 20
  • 5, 17, 18, 28, 22, 13, 29, 19, 12, 29
  • 5, 21, 17, 29, 19, 12, 29, 19, 12, 29
  • 6, 20, 31, 16, 29, 19, 12, 29, 19, 12
  • 6, 21, 30, 16, 29, 19, 12, 29, 19, 12
  • 8, 17, 23, 18, 21, 25, 15, 20, 25, 15
  • 8, 18, 21, 19, 22, 23, 16, 21, 23, 16
  • 9, 18, 27, 24, 18, 21, 25, 15, 20, 25
  • 9, 18, 28, 22, 19, 22, 23, 16, 21, 23
  • 10, 18, 15, 29, 19, 12, 29, 19, 12, 29
  • 11, 21, 21, 28, 16, 20, 25, 15, 20, 25
  • 11, 21, 22, 26, 17, 21, 23, 16, 21, 23
  • 11, 27, 22, 13, 29, 19, 12, 29, 19, 12
  • 13, 21, 23, 25, 15, 20, 25, 15, 20, 25
  • 13, 21, 24, 23, 16, 21, 23, 16, 21, 23
  • 15, 21, 22, 23, 16, 21, 23, 16, 21, 23
  • 16, 20, 21, 25, 15, 20, 25, 15, 20, 25
span 1 {1 1 1}

CIF datablock 12, entity 13 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C7 H8 (C7 H8)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 13, entity 14 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C7 H8 (C7 H8)

Multiplicity: 1

span 1 {1 1 1}