Information card for entry 7250919

Structure parameters

• Formula: C11 H13 N O2
• Calculated formula: C11 H13 N O2
• Title of publication: An unconventional photochemical amide synthesis from excited-state nitroarenes
• Authors of publication: Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 42
• Pages of publication: 13427 - 13435
• a: 11.6455 ± 0.0011 Å
• b: 9.2112 ± 0.0008 Å
• c: 18.6069 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1995.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No