Information card for entry 7203045

Structure parameters

• Formula: C48 H46 N2
• Calculated formula: C48 H46 N2
• Title of publication: New semiconductors based on triphenylamine with macrocyclic architecture: synthesis, properties and applications in OFETs
• Authors of publication: Song, Yabin; Di, Chong-an; Xu, Wei; Liu, Yunqi; Zhang, Deqing; Zhu, Daoben
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 42
• Pages of publication: 4483
• a: 10.514 ± 0.002 Å
• b: 11.309 ± 0.003 Å
• c: 16.393 ± 0.005 Å
• α: 83.502 ± 0.014°
• β: 78.733 ± 0.016°
• γ: 69.532 ± 0.013°
• Cell volume: 1788.8 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0963
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No