Information card for entry 7039496

Structure parameters

• Formula: C26 H17 As S2
• Calculated formula: C26 H17 As S2
• SMILES: [As]1(c2c(sc(c2)c2ccccc2)c2sc(cc12)c1ccccc1)c1ccccc1
• Title of publication: Facile synthesis and properties of dithieno[3,2-b:2',3'-d]arsoles.
• Authors of publication: Kato, Takuji; Imoto, Hiroaki; Tanaka, Susumu; Ishidoshiro, Makoto; Naka, Kensuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 11338 - 11345
• a: 10.404 ± 0.014 Å
• b: 18.4 ± 0.02 Å
• c: 11.973 ± 0.015 Å
• α: 90°
• β: 114.573 ± 0.015°
• γ: 90°
• Cell volume: 2084 ± 4 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No