Information card for entry 4117002

Structure parameters

• Chemical name: 1,3-Bis[4-(4-bromophenyl)-2,3,5,6,7,8-hexaphenyl-1-naphthyl]benzene . 2Dichloromethane . 4Methanol Solvate
• Formula: C116 H92 Br2 Cl4 O4
• Calculated formula: C110 H72 Br2
• Title of publication: The Albatrossenes: Large, Cleft-Containing, Polyphenyl Polycyclic Aromatic Hydrocarbons
• Authors of publication: Ling Tong; Douglas M. Ho; Nancy J. Vogelaar; Clarence E. Schutt; Robert A. Pascal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 7291 - 7302
• a: 17.493 ± 0.002 Å
• b: 17.493 ± 0.002 Å
• c: 26.676 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7069.4 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.1764
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.092
• Goodness-of-fit parameter for all reflections: 0.609
• Goodness-of-fit parameter for significantly intense reflections: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No