Information card for entry 7135351

Structure parameters

• Formula: C57 H54 Br0.92 N4 O4
• Calculated formula: C49 H38 Br0.9209 N4
• Title of publication: The anion-π⁺ interaction strategy enhances the PDT antibacterial performance of AIE-active photosensitizers.
• Authors of publication: Zhang, Ying; Sha, Renmanduhu; Gong, Jianye; Liu, Lingxiu; Feng, Lina; Zhang, Weijing; Jiang, Guoyu; Wang, Jianguo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 18
• Pages of publication: 5326 - 5330
• a: 20.1429 ± 0.0011 Å
• b: 10.8615 ± 0.0005 Å
• c: 22.1765 ± 0.0014 Å
• α: 90°
• β: 109.655 ± 0.007°
• γ: 90°
• Cell volume: 4569.1 ± 0.5 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.238
• Weighted residual factors for all reflections included in the refinement: 0.2662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No