Information card for entry 4027491

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-4Benzene
• Formula: C72 H66 O4
• Calculated formula: C69 H63 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: 17.4544 ± 0.0018 Å
• b: 18.217 ± 0.002 Å
• c: 17.9014 ± 0.0018 Å
• α: 90°
• β: 94.161 ± 0.002°
• γ: 90°
• Cell volume: 5677 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1577
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.1878
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No