Information card for entry 4025015

Structure parameters

• Common name: tet(2,6-dimethyl-4-methoxymethylph)pyrene
• Chemical name: tet(2,6-dimethyl-4-methoxymethylph)pyrene
• Formula: C24.89 H24 O1.78
• Calculated formula: C24.8889 H24 O1.77778
• 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: 9.9824 ± 0.0019 Å
• b: 21.14 ± 0.004 Å
• c: 21.342 ± 0.004 Å
• α: 90°
• β: 98.342 ± 0.004°
• γ: 90°
• Cell volume: 4455.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2095
• 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: No
• Has Fobs: No