Information card for entry 1571524

Structure parameters

• Formula: C48 H34 Br2 N2 O4
• Calculated formula: C48 H34 Br2 N2 O4
• Title of publication: Employing racemization strategies to simultaneously enhance the quantum yield, lifetime, and water stability of room-temperature phosphorescent materials.
• Authors of publication: Lin, Zenggang; Zhang, Peng; Song, Fuqiang; Yang, Yuzhu; Miao, Xuan; Liu, Weisheng
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 8052 - 8061
• a: 12.1612 ± 0.0002 Å
• b: 10.2907 ± 0.0002 Å
• c: 36.8655 ± 0.0007 Å
• α: 90°
• β: 96.834 ± 0.002°
• γ: 90°
• Cell volume: 4580.84 ± 0.15 ų
• Cell temperature: 149.98 ± 0.14 K
• Ambient diffraction temperature: 149.98 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No