Information card for entry 1577421

Structure parameters

• Formula: C43 H34 N2 O
• Calculated formula: C43 H34 N2 O
• Title of publication: Inhibition of shuttle effect in organic cathode and in situ mechanistic exploration
• Authors of publication: Gong, Yanxiang; Jia, Yiran; Yang, Jie; Zhang, Jun; Xia, Meng; Wang, Xi-Yang; Wang, Yunsheng; Tao, Ying; Fang, Manman; Yang, Quan-Hong; Zhong Tang, Ben; Li, Zhen
• Journal of publication: Energy & Environmental Science
• Year of publication: 2026
• a: 8.0841 ± 0.0003 Å
• b: 15.6107 ± 0.0007 Å
• c: 25.5418 ± 0.0012 Å
• α: 90°
• β: 90.58 ± 0.002°
• γ: 90°
• Cell volume: 3223.2 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0756
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No