Information card for entry 4507061

Structure parameters

• Common name: tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-cyclohexenone1
• Chemical name: tetra(2,6-dimethyl-4-methoxyphenyl)pyrene
• Formula: C64 H66 O6
• Calculated formula: C64 H66 O6
• Title of publication: Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion
• Authors of publication: Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 6134
• a: 12.793 ± 0.002 Å
• b: 16.993 ± 0.003 Å
• c: 11.506 ± 0.002 Å
• α: 90°
• β: 97.648 ± 0.003°
• γ: 90°
• Cell volume: 2479.1 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2449
• Weighted residual factors for all reflections included in the refinement: 0.2714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No