Information card for entry 7250675

Structure parameters

• Formula: C96 H70 N12 O2
• Calculated formula: C96 H70 N12 O2
• Title of publication: Thermally Activated Delayed Fluorescence in Aminoacene-linked Phenanthroline
• Authors of publication: Swathi Krishna, P. E.; Baiju, Hanock; Hariharan, Mahesh
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2025
• a: 21.342 ± 0.004 Å
• b: 16.508 ± 0.003 Å
• c: 22.533 ± 0.005 Å
• α: 90 ± 0.03°
• β: 104.29 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 7693 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2627
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No