Information card for entry 2000930

Structure parameters

• Formula: C30 H14 N4 S2
• Calculated formula: C30 H14 N4 S2
• SMILES: c1ccc2c(c1)c1c(s2)ccc2c1c1ccccc1s2.N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N
• Title of publication: Structure of a dibenzo[<i>d</i>,<i>d</i>']benzo[1,2-<i>b</i>:4,3-<i>b</i>']dithiophene (DBBDT) complex with 7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TCNQ)
• Authors of publication: Thorup, N.; Hjorth, M.; Larsen, J.; Bechgaard, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 949 - 951
• a: 16.159 ± 0.007 Å
• b: 17.958 ± 0.002 Å
• c: 16.159 ± 0.007 Å
• α: 90°
• β: 96.41 ± 0.02°
• γ: 90°
• Cell volume: 4660 ± 3 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No