Information card for entry 1568878

Structure parameters

• Formula: C26 H24 N4 O
• Calculated formula: C26 H24 N4 O
• SMILES: O1CCN(c2nnc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)CC1
• Title of publication: Oxidization enhances type I ROS generation of AIE-active zwitterionic photosensitizers for photodynamic killing of drug-resistant bacteria.
• Authors of publication: Gong, Jianye; Liu, Lingxiu; Li, Chunbin; He, Yumao; Yu, Jia; Zhang, Ying; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4863 - 4871
• a: 21.2739 ± 0.0012 Å
• b: 11.0135 ± 0.0008 Å
• c: 8.6873 ± 0.0005 Å
• α: 90°
• β: 95.211 ± 0.005°
• γ: 90°
• Cell volume: 2027 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No