Information card for entry 4027493

Structure parameters

• Common name: 1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene
• Chemical name: 1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-2Nitrobenzene
• Formula: C60 H52 N2 O8
• Calculated formula: C30 H26 N O4
• Title of publication: Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry
• Authors of publication: Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 7858 - 7865
• a: 7.946 ± 0.005 Å
• b: 16.796 ± 0.01 Å
• c: 18.346 ± 0.011 Å
• α: 90°
• β: 98.591 ± 0.011°
• γ: 90°
• Cell volume: 2421 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No