Information card for entry 4518628

Structure parameters

• Formula: C28 H17 N4 O S
• Calculated formula: C28 H17 N4 O S
• Title of publication: One-for-All Phototheranostic Agent Based on Aggregation-Induced Emission Characteristics for Multimodal Imaging-Guided Synergistic Photodynamic/Photothermal Cancer Therapy
• Authors of publication: Liu, Luqi; Wang, Xian; Wang, Li-Juan; Guo, Lianqin; Li, Yanbin; Bai, Bing; Fu, Fan; Lu, Hongguang; Zhao, Xiaowei
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2021
• a: 21.9999 ± 0.0005 Å
• b: 20.5062 ± 0.0007 Å
• c: 10.552 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4760.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No