Information card for entry 4024982

Structure parameters

• Common name: tetra(2,4,6-trimethylphenyl)pyrene
• Chemical name: tetra(2,4,6-trimethylphenyl)pyrene
• Formula: C72 H86
• Calculated formula: C72 H86
• 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: 12.0829 ± 0.001 Å
• b: 15.8966 ± 0.0014 Å
• c: 15.9811 ± 0.0014 Å
• α: 107.21 ± 0.002°
• β: 102.618 ± 0.002°
• γ: 92.657 ± 0.002°
• Cell volume: 2841 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1623
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2309
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No