Information card for entry 7040213

Structure parameters

• Formula: C24 H21 As O2
• Calculated formula: C24 H21 As O2
• SMILES: C1(=CC=C([As]1c1ccccc1)c1c(cccc1)OC)c1c(cccc1)OC
• 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: 7.88163 ± 0.00018 Å
• b: 16.2823 ± 0.0004 Å
• c: 15.3253 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1966.71 ± 0.08 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No