Information card for entry 7105539

Structure parameters

• Common name: tetra(2,6-dimethyl-4-methoxyphenyl)pyrene
• Chemical name: tetra(2,6-dimethyl-4-methoxyphenyl)pyrene
• Formula: C63 H65 N O6
• Calculated formula: C63 H65 N O6
• Title of publication: Engineering of ternary co-crystals based on differential binding of guest molecules by a tetraarylpyrene inclusion host
• Authors of publication: Moorthy, Jarugu Narasimha; Natarajan, Palani; Venugopalan, P.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3574
• a: 14.829 ± 0.004 Å
• b: 15.582 ± 0.005 Å
• c: 23.732 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5484 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1601
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No