Information card for entry 7249338

Structure parameters

• Formula: C33 H25 B F2 O3
• Calculated formula: C33 H25 B F2 O3
• Title of publication: Engineering High-Brightness and Long-Lived Organic Room-Temperature Phosphorescence via Systematic Molecular Design
• Authors of publication: Wang, Guangming; Chen, Yuanyuan; Chen, Xuefeng; Zha, Jinqi; Guo, Xiaoya; Zhang, Kaka
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2024
• a: 9.567 ± 0.0019 Å
• b: 21.6 ± 0.004 Å
• c: 12.483 ± 0.003 Å
• α: 90°
• β: 107 ± 0.03°
• γ: 90°
• Cell volume: 2466.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.6702 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No