Information card for entry 4025017

Structure parameters

• Common name: tet(2,6-dimethyl-4-methoxymethylph)pyrene
• Chemical name: tet(2,6-dimethyl-4-methoxymethylph)pyrene
• Formula: C86 H112 O4
• Calculated formula: C86 H112 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: 29.225 ± 0.002 Å
• b: 11.0806 ± 0.0009 Å
• c: 21.7721 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7050.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No