Information card for entry 7233644

Structure parameters

• Formula: C50 H32 N4 O
• Calculated formula: C50 H32 N4 O
• SMILES: o1c(nnc1c1c(cccc1)c1ccc(n2c3ccccc3c3ccccc23)cc1)c1c(cccc1)c1ccc(n2c3ccccc3c3ccccc23)cc1
• Title of publication: Oxadiazole based bipolar host materials employing planarized triarylamine donors for RGB PHOLEDs with low efficiency roll-off
• Authors of publication: Paul Kautny; Daniel Lumpi; Yanping Wang; Antoine Tissot; Johannes Bintinger; Ernst Horkel; Berthold Stoger; Christian Hametner; Hans Hagemann; Dongge Ma; Johannes Fröhlich
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 2069 - 2081
• a: 17.9874 ± 0.0004 Å
• b: 9.2989 ± 0.0008 Å
• c: 21.5822 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3609.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for significantly intense reflections: 2.67
• Goodness-of-fit parameter for all reflections included in the refinement: 2.52
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No