Information card for entry 7135715

Structure parameters

• Formula: C96.74 H65.48 B6 Cl9.48 N10 O18
• Calculated formula: C96.738 H65.476 B6 Cl9.476 N10 O18
• Title of publication: Competitive supramolecular assembly tunes anthracene emission over 165 nm via controlled π-overlap
• Authors of publication: Xu, Jieqiong; Zhou, Jie; Yang, Wenyan; Deng, Shengyong; Wei, Peifa
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 9.7883 ± 0.0004 Å
• b: 12.3872 ± 0.0005 Å
• c: 21.4954 ± 0.0006 Å
• α: 105.172 ± 0.003°
• β: 93.698 ± 0.003°
• γ: 106.045 ± 0.003°
• Cell volume: 2391.02 ± 0.16 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.1021
• Weighted residual factors for significantly intense reflections: 0.3311
• Weighted residual factors for all reflections included in the refinement: 0.3472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.429
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No