Information card for entry 7131534

Structure parameters

• Formula: C65 H61 B Cl3 N3
• Calculated formula: C65 H61 B Cl3 N3
• Title of publication: "Medium-ring" strategy enables high-performance narrowband pure-blue multi-resonance emitters: boost provided by a unique perpendicular geometry.
• Authors of publication: Xiao, Xin; Lei, Bowen; Wu, Di; Bin, Zhengyang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 43
• Pages of publication: 6556 - 6559
• a: 15.1246 ± 0.0012 Å
• b: 15.3418 ± 0.0009 Å
• c: 23.6578 ± 0.0018 Å
• α: 90°
• β: 99.404 ± 0.003°
• γ: 90°
• Cell volume: 5415.7 ± 0.7 ų
• Cell temperature: 231 ± 2 K
• Ambient diffraction temperature: 231 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: 0.1001
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No