Information card for entry 1571526

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: 36.5216 ± 0.0006 Å
• b: 10.8114 ± 0.0002 Å
• c: 12.1409 ± 0.0002 Å
• α: 90°
• β: 97.5803 ± 0.0016°
• γ: 90°
• Cell volume: 4751.94 ± 0.14 ų
• Cell temperature: 297.74 ± 0.18 K
• Ambient diffraction temperature: 297.74 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No