Information card for entry 7250924

Structure parameters

• Formula: C14 H13 N O2
• Calculated formula: C14 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: 7.4116 ± 0.0002 Å
• b: 12.5682 ± 0.0004 Å
• c: 12.6455 ± 0.0004 Å
• α: 90°
• β: 92.181 ± 0.002°
• γ: 90°
• Cell volume: 1177.08 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No