Information card for entry 7250349

Structure parameters

• Formula: C10 H9 N3 O2
• Calculated formula: C10 H9 N3 O2
• Title of publication: A photo-Fenton-like (trideutero)methylation reaction of N/O heterocycles with DMSO(-d6) induced by EDA complex photocatalysis
• Authors of publication: Qin, Changsheng; Li, Chenxu; Gao, Fang; Wang, Jingfang; Zhang, Zhihua; Zhang, Shuai; Li, Xinyue; Sun, Yi; Hu, Meiqian; Wang, Shoucai; Ji, Fanghua; Jiang, Guangbin
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 6206 - 6212
• a: 5.5401 ± 0.0001 Å
• b: 21.2296 ± 0.0006 Å
• c: 31.9506 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3757.84 ± 0.15 ų
• Cell temperature: 100.02 ± 0.11 K
• Ambient diffraction temperature: 100.02 ± 0.11 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: 0.0574
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No