Information card for entry 4116999

Structure parameters

• Chemical name: 1-Bromo-3,5-bis(1,3,4,5,6,7,8-heptaphenyl-2-naphthyl)benzene 3.5Nitrobenzene/1.0Toluene Solvate
• Formula: C138 H98.5 Br N3.5 O7
• Calculated formula: C138 H98.5 Br N3.5 O7
• 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: 16.948 ± 0.027 Å
• b: 18.224 ± 0.025 Å
• c: 20.316 ± 0.017 Å
• α: 79.39 ± 0.08°
• β: 72.11 ± 0.1°
• γ: 66.73 ± 0.11°
• Cell volume: 5471 ± 13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections: 0.3262
• Weighted residual factors for significantly intense reflections: 0.3084
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No