Information card for entry 4001614

Structure parameters

• Formula: C39 H27 N3
• Calculated formula: C39 H27 N3
• SMILES: n1c2c3c(c4c(c2n(c1c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1)cccc4)cccc3
• Title of publication: High Efficiency Nondoped Deep-Blue Organic Light Emitting Devices Based on Imidazole-π-triphenylamine Derivatives
• Authors of publication: Zhang, Ying; Lai, Shiu-Lun; Tong, Qing-Xiao; Lo, Ming-Fai; Ng, Tsz-Wai; Chan, Mei-Yee; Wen, Zhi-Chun; He, Jun; Jeff, Kc-Sham; Tang, Xiang-Lin; Liu, Wei-Min; Ko, Chi-Chiu; Wang, Peng-Fei; Lee, Chun-Sing
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 61
• a: 17.65 ± 0.0014 Å
• b: 7.9259 ± 0.0007 Å
• c: 21.0834 ± 0.0018 Å
• α: 90°
• β: 105.958 ± 0.008°
• γ: 90°
• Cell volume: 2835.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1025
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No