Information card for entry 4115388

Structure parameters

• Common name: 1,2-dithiolium cation
• Formula: C16 H21 Cl6 O2 S2 Sb
• Calculated formula: C16 H21 Cl6 O2 S2 Sb
• Title of publication: 1,2-Dithiin Annelated with Bicyclo[2.2.2]octene Frameworks. One-Electron and Two-Electron Oxidations and Formation of a Novel 2,3,5,6-Tetrathiabicyclo[2.2.2]oct-7-ene Radical Cation with Remarkable Stability Owing to a Strong Transannular Interaction
• Authors of publication: Atsushi Wakamiya; Tohru Nishinaga; Koichi Komatsu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 15038 - 15050
• a: 8.0312 ± 0.0006 Å
• b: 11.1246 ± 0.0008 Å
• c: 14.3052 ± 0.001 Å
• α: 107.786 ± 0.001°
• β: 92.856 ± 0.001°
• γ: 108.053 ± 0.001°
• Cell volume: 1142.25 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No