Information card for entry 7205575

Structure parameters

• Formula: C39 H35 Ir N4
• Calculated formula: C39 H35 Ir N4
• SMILES: c1[n]2[Ir]34([n]5cccc6ccc7cccc4c7c56)([N](=C(N3C(C)C)c3ccccc3)C(C)C)c3cccc4ccc(cc1)c2c34
• Title of publication: Highly efficient white organic electroluminescence device based on a phosphorescent orange material doped in a blue host emitter
• Authors of publication: Peng, Tai; Yang, Yu; Bi, Hai; Liu, Yu; Hou, Zhaomin; Wang, Yue
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 11
• Pages of publication: 3551
• a: 13.245 ± 0.003 Å
• b: 16.006 ± 0.003 Å
• c: 29.949 ± 0.006 Å
• α: 90°
• β: 93.84 ± 0.03°
• γ: 90°
• Cell volume: 6335 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No