Information card for entry 4025014

Structure parameters

• Common name: tetra(2,6-dimethyl-4-isopropylphenyl)pyrene
• Chemical name: tetra(2,6-dimethyl-4-isopropylphenyl)pyrene
• Formula: C84 H96 O4
• Calculated formula: C84 H96 O4
• Title of publication: Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes
• Authors of publication: Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8566 - 8577
• a: 12.243 ± 0.002 Å
• b: 14.796 ± 0.003 Å
• c: 20.319 ± 0.004 Å
• α: 83.209 ± 0.003°
• β: 78.06 ± 0.003°
• γ: 71.036 ± 0.003°
• Cell volume: 3400.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No