Information card for entry 7135352

Structure parameters

• Formula: C54 H54 Br2 N4 O4
• Calculated formula: C51 H42 Br2 N4 O
• Title of publication: Anion-π+ interaction strategy enhances PDT antibacterial performance of AIE-active photosensitizers
• Authors of publication: Zhang, Ying; Sha, Renmanduhu; Gong, Jian-Ye; Liu, Lingxiu; Feng, Lina; Zhang, Weijing; Jiang, Guoyu; Wang, Jianguo
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 11.0375 ± 0.0006 Å
• b: 8.4725 ± 0.0005 Å
• c: 48.75 ± 0.004 Å
• α: 90°
• β: 90.538 ± 0.007°
• γ: 90°
• Cell volume: 4558.7 ± 0.5 ų
• Cell temperature: 219.98 ± 0.1 K
• Ambient diffraction temperature: 219.98 ± 0.1 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: 0.0836
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No