Information card for entry 1571527

Structure parameters

• Formula: C96 H70 Br4 N4 O10
• Calculated formula: C96 H72 Br4 N4 O10
• 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: 10.42669 ± 0.00014 Å
• b: 12.40814 ± 0.00015 Å
• c: 18.05325 ± 0.00018 Å
• α: 79.3587 ± 0.0009°
• β: 81.0124 ± 0.001°
• γ: 87.8419 ± 0.001°
• Cell volume: 2267.21 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1505
• 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