Information card for entry 1503813

Structure parameters

• Formula: C63 H51 N
• Calculated formula: C63 H51 N
• SMILES: N12c3c4C(c5ccc(C)cc5)(c5ccc(cc5)C)c5cccc(C(c6ccc(C)cc6)(c6ccc(cc6)C)c6cccc(C(c7ccc(C)cc7)(c7ccc(cc7)C)c3ccc4)c26)c15
• Title of publication: A fully diarylmethylene-bridged triphenylamine derivative as novel host for highly efficient green phosphorescent OLEDs.
• Authors of publication: Jiang, Zuoquan; Chen, Yonghua; Yang, Chuluo; Cao, Yue; Tao, Youtian; Qin, Jingui; Ma, Dongge
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1503 - 1506
• a: 16.798 ± 0.003 Å
• b: 16.798 ± 0.003 Å
• c: 66.084 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16149 ± 6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No