Information card for entry 1573229

Structure parameters

• Formula: C34 H16 As2 S4
• Calculated formula: C34 H16 As2 S4
• SMILES: [as]1c2c(c(c3c4sc5c(c4[as]c4c6c(sc34)cccc6)cccc5)c3sc4c(c13)cccc4)sc1c2cccc1
• Title of publication: Dithienoarsinines: stable and planar π-extended arsabenzenes.
• Authors of publication: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 1126 - 1135
• a: 8.0954 ± 0.0006 Å
• b: 11.366 ± 0.0007 Å
• c: 15.4655 ± 0.0008 Å
• α: 87.822 ± 0.005°
• β: 85.309 ± 0.005°
• γ: 80.114 ± 0.006°
• Cell volume: 1396.77 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No