Information card for entry 1573234

Structure parameters

• Formula: C23 H13 As S2
• Calculated formula: C23 H13 As S2
• Title of publication: Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes
• Authors of publication: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 16.1897 ± 0.0005 Å
• b: 7.1373 ± 0.0003 Å
• c: 31.4478 ± 0.0009 Å
• α: 90°
• β: 90.732 ± 0.003°
• γ: 90°
• Cell volume: 3633.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No