Information card for entry 7233645

Structure parameters

• Formula: C46 H28 N4 O S2
• Calculated formula: C46 H28 N4 O S2
• 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: 16.6992 ± 0.0007 Å
• b: 8.3716 ± 0.0003 Å
• c: 49.404 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6906.6 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0363
• Goodness-of-fit parameter for significantly intense reflections: 1.68
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No