Information card for entry 7043870

Structure parameters

• Formula: C48 H27 O1.5 P
• Calculated formula: C48 H27 O1.4998 P
• 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: 19.6411 ± 0.0011 Å
• b: 19.6411 ± 0.0011 Å
• c: 19.5128 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6519 ± 0.6 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: 0.0924
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No