Information card for entry 4320886

Structure parameters

• Formula: C28 H18 F6 N4 O2 S2
• Calculated formula: C28 H18 F6 N4 O2 S2
• Title of publication: Eight- and 16-Membered Cyanuric-Sulfanuric Ring Systems: C2N4S2→C2N3S Ring Contraction
• Authors of publication: Tristram Chivers; Monica P. Gibson; Masood Parvez; Ignacio Vargas-Baca
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1697 - 1704
• a: 7.316 ± 0.002 Å
• b: 29.508 ± 0.005 Å
• c: 12.9095 ± 0.0015 Å
• α: 90°
• β: 101.304 ± 0.016°
• γ: 90°
• Cell volume: 2732.8 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.2664
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2493
• Weighted residual factors for all reflections included in the refinement: 0.3585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No