Information card for entry 4025020

Structure parameters

• Common name: tet(2,6-dimethyl-4-methoxymethylph)pyrene
• Chemical name: tet(2,6-dimethyl-4-methoxymethylph)pyrene
• Formula: C72 H68 O4
• Calculated formula: C72 H68 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: 8.4846 ± 0.0011 Å
• b: 11.1538 ± 0.0015 Å
• c: 15.236 ± 0.002 Å
• α: 69.813 ± 0.002°
• β: 82.882 ± 0.002°
• γ: 83.346 ± 0.003°
• Cell volume: 1338.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0844
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No