Information card for entry 1572048

Structure parameters

• Formula: C60 H64 B Cl N O3.5 P
• Calculated formula: C58.5 H58 B Cl N O2 P
• Title of publication: Multiple-resonance thermally activated delayed fluorescence materials based on phosphorus central chirality for efficient circularly polarized electroluminescence
• Authors of publication: Wang, Yu; Lv, Zi-Yi; Chen, Zi-Xuan; Xing, Shuai; Huo, Zhong-Zhong; Hong, Xian-Fang; Yuan, Li; Li, Wei; Zheng, You-Xuan
• Journal of publication: Materials Horizons
• Year of publication: 2024
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 4722 - 4729
• a: 9.2454 ± 0.0013 Å
• b: 19.524 ± 0.003 Å
• c: 29.571 ± 0.006 Å
• α: 90°
• β: 92.763 ± 0.007°
• γ: 90°
• Cell volume: 5331.6 ± 1.6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1465
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2425
• Weighted residual factors for all reflections included in the refinement: 0.2883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No