Information card for entry 4025019

Structure parameters

• Common name: tetra(2,6-dimethyl-4-methoxybenzyl)pyrene
• Chemical name: tetra(2,6-dimethyl-4-methoxybenzyl)pyrene
• Formula: C126 H124 N2 O8
• Calculated formula: C126 H124 N2 O8
• 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: 19.747 ± 0.006 Å
• b: 16.708 ± 0.005 Å
• c: 16.419 ± 0.005 Å
• α: 90°
• β: 105.485 ± 0.007°
• γ: 90°
• Cell volume: 5220 ± 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: 0.1911
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2438
• Weighted residual factors for all reflections included in the refinement: 0.3005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No