Information card for entry 7038912

Structure parameters

• Formula: C26 H27 As N2
• Calculated formula: C26 H27 As N2
• SMILES: [As]1(C(=CC=C1c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)c1ccccc1
• 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: 16.513 ± 0.009 Å
• b: 6.169 ± 0.003 Å
• c: 22.038 ± 0.013 Å
• α: 90°
• β: 105.993 ± 0.006°
• γ: 90°
• Cell volume: 2158 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No