Information card for entry 7705348

Structure parameters

• Formula: C21 H17 As O
• Calculated formula: C21 H17 As O
• Title of publication: 2-Arylbenzo[<i>b</i>]arsoles: an experimental and computational study on the relationship between structural and photophysical properties.
• Authors of publication: Ishijima, Kosuke; Tanaka, Susumu; Imoto, Hiroaki; Naka, Kensuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 44
• Pages of publication: 15612 - 15621
• a: 15.323 ± 0.004 Å
• b: 6.0864 ± 0.0014 Å
• c: 18.537 ± 0.005 Å
• α: 90°
• β: 102.156 ± 0.014°
• γ: 90°
• Cell volume: 1690 ± 0.7 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 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: 0.0706
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No