Information card for entry 7135350

Structure parameters

• Formula: C49 H35 Cl3 N4
• Calculated formula: C49 H35 Cl3 N4
• 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: 10.2442 ± 0.0002 Å
• b: 10.4061 ± 0.0003 Å
• c: 19.7416 ± 0.0005 Å
• α: 85.184 ± 0.002°
• β: 80.187 ± 0.002°
• γ: 68.756 ± 0.002°
• Cell volume: 1932.23 ± 0.09 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0496
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No