Information card for entry 7238007

Structure parameters

• Formula: C43 H27 N3 O4
• Calculated formula: C43 H27 N3 O4
• Title of publication: Effects of intramolecular hydrogen bonding on the conformation and luminescence properties of dibenzoylpyridine-based thermally activated delayed fluorescence materials
• Authors of publication: Pandidurai, Jayabalan; Jayakumar, Jayachandran; Senthilkumar, Natarajan; Cheng, Chien-Hong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 42
• Pages of publication: 13104
• a: 11.35 ± 0.02 Å
• b: 11.79 ± 0.02 Å
• c: 12.45 ± 0.02 Å
• α: 111.73 ± 0.04°
• β: 94.96 ± 0.05°
• γ: 92.64 ± 0.04°
• Cell volume: 1536 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No