Information card for entry 7063773

Structure parameters

• Formula: C54 H30 O2
• Calculated formula: C54 H30 O2
• Title of publication: Dual space-conjugated pyrene-based ketone exhibits dual state-tuned emission wavelengths and enhanced circularly polarized luminescence
• Authors of publication: Ji, Yao; Meng, Xin; Han, Jia’ao; Liu, Yanchen; Tang, Jian; He, Yuanchun; Zhang, Ensheng; Zhang, Xiaoxiang; Cao, Ziping
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 8428 - 8436
• a: 8.1952 ± 0.0009 Å
• b: 8.1952 ± 0.0009 Å
• c: 52.758 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3543.3 ± 0.8 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No