Information card for entry 7135718

Structure parameters

• Formula: C149 H140 B6 Cl2 N12 O19
• Calculated formula: C149 H140 B6 Cl2 N12 O19
• 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: 10.864 ± 0.0002 Å
• b: 18.0411 ± 0.0005 Å
• c: 36.2165 ± 0.0008 Å
• α: 90°
• β: 95.724 ± 0.002°
• γ: 90°
• Cell volume: 7063 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.1272
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.2889
• Weighted residual factors for all reflections included in the refinement: 0.3096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No