Information card for entry 7133200

Structure parameters

• Formula: C26 H19 Cl F6 N2 O4
• Calculated formula: C26 H19 Cl F6 N2 O4
• Title of publication: N-Benzylhydroxylamine as a novel synthetic block in "C1N1" embedding reaction via α–C(sp3)−H activation strategy
• Authors of publication: Tang, Yong-Xing; Zhou, You; Wu, Hao-Xuan; Wang, Li-Sheng; Wu, Chun-Yan; Zhuang, Shi-Yi; Wu, An-Xin
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 16.652 ± 0.003 Å
• b: 14.997 ± 0.002 Å
• c: 21.13 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5276.8 ± 1.4 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No