Information card for entry 7043869

Structure parameters

• Formula: C48 H27 As O
• Calculated formula: C48 H27 As O
• SMILES: c1(c2ccc3cccc4ccc(cc1)c2c34)[As](=O)(c1c2ccc3cccc4ccc(cc1)c2c34)c1c2ccc3cccc4ccc(cc1)c2c34
• Title of publication: Synthesis and fluorescence spectroscopy of tris(pyrenyl)pnictogen compounds
• Authors of publication: Behm, Kira; Essner, Jeremy B.; Barnes, Charles L.; Baker, Gary A.; Walensky, Justin R.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 19.8301 ± 0.0009 Å
• b: 19.8301 ± 0.0009 Å
• c: 19.3402 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6586.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No