Information card for entry 4507059

Structure parameters

• Common name: tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-Chloroform1
• Chemical name: tetra(2,6-dimethyl-4-methoxyphenyl)pyrene
• Formula: C54 H52 Cl6 O4
• Calculated formula: C54 H52 Cl6 O4
• 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: 17.1906 ± 0.0013 Å
• b: 11.4994 ± 0.0009 Å
• c: 24.854 ± 0.0019 Å
• α: 90°
• β: 91.555 ± 0.001°
• γ: 90°
• Cell volume: 4911.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No