Information card for entry 1573230

Structure parameters

• Formula: C17 H9 As S2
• Calculated formula: C17 H9 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: 14.5703 ± 0.0009 Å
• b: 3.9421 ± 0.0003 Å
• c: 23.8017 ± 0.0018 Å
• α: 90°
• β: 99.317 ± 0.007°
• γ: 90°
• Cell volume: 1349.08 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No