Information card for entry 7238006

Structure parameters

• Formula: C49 H39 N3 O2
• Calculated formula: C49 H39 N3 O2
• 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: 10.3324 ± 0.0004 Å
• b: 14.334 ± 0.0005 Å
• c: 26.1832 ± 0.001 Å
• α: 77.029 ± 0.002°
• β: 80.766 ± 0.002°
• γ: 74.062 ± 0.002°
• Cell volume: 3613.4 ± 0.2 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: 0.0772
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No