Information card for entry 2016192

Structure parameters

• Common name: 5,6,11,12-Tetrathiadibenzo[a,e]cyclooctene
• Chemical name: 2,3,10,11-Tetrathiatricyclo[10.4.0.0^4,9^]hexadeca-4,6,8,12,14,16-hexaene
• Formula: C12 H8 S4
• Calculated formula: C12 H8 S4
• SMILES: c1ccc2c(c1)SSc1c(SS2)cccc1
• Title of publication: 2,3,10,11-Tetrathiatricyclo[10.4.0.0^4,9^]hexadeca-4,6,8,12,14,16-hexaene (precession camera <i>versus</i> CCD)
• Authors of publication: Yearley, Eric J.; Lippert, Ernest L.; Mitchell, Donald J.; Pinkerton, A. Alan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o576 - o577
• a: 7.0875 ± 0.0002 Å
• b: 7.2827 ± 0.0002 Å
• c: 7.2971 ± 0.0002 Å
• α: 114.534 ± 0.001°
• β: 95.685 ± 0.001°
• γ: 116.754 ± 0.001°
• Cell volume: 286.374 ± 0.015 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes