Information card for entry 7135805

Structure parameters

• Formula: C110 H62 Cl6 S12
• Calculated formula: C110 H62 Cl6 S12
• Title of publication: Redox-Active Multi-Thianthrene Cycloparaphenylenes: Synthesis and Supramolecular Properties
• Authors of publication: Clayton, Tara; Spaulding, Veronica R.; Davenport, Audrey; Zakharov, Lev; Brozek, Carl K.; Jasti, Ramesh
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 19.6392 ± 0.0004 Å
• b: 19.6392 ± 0.0004 Å
• c: 53.6698 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17927 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No