Information card for entry 4001000

Structure parameters

• Formula: C51 H38
• Calculated formula: C51 H38
• SMILES: c1ccc(cc1)C.c1ccc(cc1)C1(c2cccc(c2)C2(c3ccccc3)c3ccccc3c3c2cccc3)c2ccccc2c2c1cccc2
• Title of publication: Wide-Energy-Gap Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes
• Authors of publication: Ye, Shanghui; Liu, Yunqi; Di, Chong-an; Xi, Hongxia; Wu, Weiping; Wen, Yugen; Lu, Kun; Du, Chunyan; Liu, Ying; Yu, Gui
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1333
• a: 22.474 ± 0.002 Å
• b: 10.6415 ± 0.001 Å
• c: 14.7196 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3520.3 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 2
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No