Information card for entry 4114307

Structure parameters

• Common name: 2,7-Bis(4'-n-hexylphenyl)-4,9-diphenylanthrazoline
• Chemical name: 2,7-Bis(4'-n-hexylphenyl)-4,9-diphenylanthrazoline
• Formula: C48 H48 N2
• Calculated formula: C48 H48 N2
• SMILES: c12c(nc(cc1c1ccccc1)c1ccc(cc1)CCCCCC)cc1c(c2)nc(cc1c1ccccc1)c1ccc(cc1)CCCCCC
• Title of publication: New n-Type Organic Semiconductors: Synthesis, Single Crystal Structures, Cyclic Voltammetry, Photophysics, Electron Transport, and Electroluminescence of a Series of Diphenylanthrazolines
• Authors of publication: Christopher J. Tonzola; Maksudul M. Alam; Werner Kaminsky; Samson A. Jenekhe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13548 - 13558
• a: 14.291 ± 0.001 Å
• b: 5.837 ± 0.0004 Å
• c: 21.752 ± 0.002 Å
• α: 90°
• β: 104.231 ± 0.003°
• γ: 90°
• Cell volume: 1758.8 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• 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: 0.1176
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No