Information card for entry 1576237

Structure parameters

• Formula: C119 H97 Cl3 N8
• Calculated formula: C119 H97 Cl3 N8
• Title of publication: A bow-like axially chiral cycloparaphenylene with simultaneously enhanced photoluminescence quantum yield and dissymmetry factor
• Authors of publication: Yu, Meng-Xue; Feng, Chao; Guo, Wei-Chen; Chen, Chuan-Feng
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 14.8285 ± 0.0011 Å
• b: 15.678 ± 0.0009 Å
• c: 24.1104 ± 0.0011 Å
• α: 93.438 ± 0.004°
• β: 106.677 ± 0.006°
• γ: 100.91 ± 0.005°
• Cell volume: 5233.3 ± 0.6 ų
• Cell temperature: 170.2 ± 0.9 K
• Ambient diffraction temperature: 170.2 ± 0.9 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2147
• Residual factor for significantly intense reflections: 0.1424
• Weighted residual factors for significantly intense reflections: 0.2634
• Weighted residual factors for all reflections included in the refinement: 0.2976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No