Information card for entry 4507060

Structure parameters

• Common name: tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-Chloroform2
• Chemical name: tetra(2,6-dimethyl-4-methoxyphenyl)pyrene
• Formula: C107 H103 Cl9 O8
• Calculated formula: C107 H103 Cl9 O8
• 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: 20.1999 ± 0.0013 Å
• b: 21.9548 ± 0.0013 Å
• c: 22.6618 ± 0.0013 Å
• α: 90°
• β: 107.967 ± 0.002°
• γ: 90°
• Cell volume: 9560.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No