Information card for entry 1576362

Structure parameters

• Formula: C57 H42 N6 O
• Calculated formula: C52 H30 N6
• Title of publication: Fine-Tuning J-Aggregation via Steric Hindrance for High-Efficiency NIR-II Bioimaging and Photothermal Therapy
• Authors of publication: Xia, Wen-Li; Ran, Xiaoyun; Zhao, Yu; Zhang, Hong; Zhou, Qian; Yu, Xiao-Qi; Li, Kun
• Journal of publication: Materials Horizons
• Year of publication: 2026
• a: 12.354 ± 0.003 Å
• b: 19.366 ± 0.003 Å
• c: 18.938 ± 0.004 Å
• α: 90°
• β: 98.148 ± 0.009°
• γ: 90°
• Cell volume: 4485.1 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.1148
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No