Information card for entry 7227722

Structure parameters

• Formula: C45 H33 N9
• Calculated formula: C45 H33 N9
• SMILES: c1(cccc(n1)c1cn(c2ccc(N(c3ccccc3)c3ccccc3)cc2)nn1)c1cn(c2ccc(N(c3ccccc3)c3ccccc3)cc2)nn1
• Title of publication: Functional organic click-materials: application in phosphorescent organic light emitting diodes
• Authors of publication: Kautny, Paul; Zhao, Chenyang; Kader, Thomas; Stöger, Berthold; Horkel, Ernst; Chen, Jiangshan; Ma, Dongge; Fröhlich, Johannes; Lumpi, Daniel
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 20
• Pages of publication: 12150
• a: 30.827 ± 0.008 Å
• b: 13.426 ± 0.003 Å
• c: 8.792 ± 0.002 Å
• α: 90°
• β: 94.156 ± 0.004°
• γ: 90°
• Cell volume: 3629.3 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0857
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for significantly intense reflections: 1.69
• Goodness-of-fit parameter for all reflections included in the refinement: 1.55
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No