Information card for entry 1572607

Structure parameters

• Formula: C24 H26 N4
• Calculated formula: C24 H26 N4
• Title of publication: De Novo Design of Type-l Photosensitizers Agents Based on Structure-Inherent Low Triplet Energy for Hypoxia Photodynamic Therapy
• Authors of publication: Ran, Xiaoyun; Xia, Wen-Li; Zhang, Li-Na; Yu, Xiao-Qi; Chen, Ping; Xie, Kun-Peng; Zhao, Yu; Yi, Cheng; Li, Kun
• Journal of publication: Materials Horizons
• Year of publication: 2024
• a: 10.998 ± 0.003 Å
• b: 11.807 ± 0.004 Å
• c: 16.29 ± 0.005 Å
• α: 90°
• β: 101.724 ± 0.009°
• γ: 90°
• Cell volume: 2071.2 ± 1.1 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 3
• 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: 0.0856
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No