Information card for entry 4114306

Structure parameters

• Common name: 2,7-Bis(4'-tert-butylphenyl)-4,9-diphenylanthrazoline
• Chemical name: 2,7-Bis(4'-tert-butylphenyl)-4,9-diphenylanthrazoline
• Formula: C44 H38 N2
• Calculated formula: C44 H40 N2
• SMILES: c1(nc2cc3c(cc2c(c1)c1ccccc1)nc(cc3c1ccccc1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• 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: 23.84 ± 0.0008 Å
• b: 5.962 ± 0.0002 Å
• c: 22.529 ± 0.001 Å
• α: 90°
• β: 93.761 ± 0.0012°
• γ: 90°
• Cell volume: 3195.2 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No