Information card for entry 7052919

Structure parameters

• Formula: C51 H27 D8 N7.5 O5
• Calculated formula: C51.25 H27 D8 N7.25 O5
• Title of publication: Novel naphthyridine-based compounds in small molecular non-doped OLEDs: synthesis, properties and their versatile applications for organic light-emitting diodes
• Authors of publication: Fernández-Mato, Antonio; Quintela, José M.; Peinador, Carlos
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1634
• a: 9.2902 ± 0.0002 Å
• b: 13.6836 ± 0.0003 Å
• c: 16.069 ± 0.0003 Å
• α: 85.521 ± 0.001°
• β: 80.357 ± 0.001°
• γ: 88.534 ± 0.001°
• Cell volume: 2007.57 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No