Information card for entry 7039495

Structure parameters

• Formula: C14 H7 As Br2 S2
• Calculated formula: C14 H7 As Br2 S2
• SMILES: Brc1sc2c([As](c3c2sc(Br)c3)c2ccccc2)c1
• 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: 5.339 ± 0.004 Å
• b: 15.757 ± 0.011 Å
• c: 18.921 ± 0.013 Å
• α: 111.62 ± 0.009°
• β: 92.719 ± 0.008°
• γ: 90.884 ± 0.007°
• Cell volume: 1477.2 ± 1.8 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No