Information card for entry 7220283

Structure parameters

• Common name: tetraarylpyrene
• Chemical name: tetraarylpyrene
• Formula: C110 H94 O4
• Calculated formula: C110 H94 O4
• Title of publication: Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host
• Authors of publication: Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 28
• Pages of publication: 5307
• a: 8.8603 ± 0.0007 Å
• b: 15.0334 ± 0.0012 Å
• c: 15.751 ± 0.0012 Å
• α: 91.487 ± 0.002°
• β: 101.436 ± 0.002°
• γ: 104.501 ± 0.001°
• Cell volume: 1984.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No