Information card for entry 7038910

Structure parameters

• Formula: C22 H15 As Br2
• Calculated formula: C22 H15 As Br2
• SMILES: Brc1ccc(C2=CC=C([As]2c2ccccc2)c2ccc(Br)cc2)cc1
• Title of publication: An experimental study on arsoles: structural variation, optical and electronic properties, and emission behavior.
• Authors of publication: Ishidoshiro, Makoto; Imoto, Hiroaki; Tanaka, Susumu; Naka, Kensuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8717 - 8723
• a: 14.854 ± 0.009 Å
• b: 5.972 ± 0.003 Å
• c: 21.848 ± 0.013 Å
• α: 90°
• β: 98.216 ± 0.007°
• γ: 90°
• Cell volume: 1918.2 ± 1.9 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: 0.1331
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No