Information card for entry 7135551

Structure parameters

• Formula: C16 H13 N O3
• Calculated formula: C16 H13 N O3
• Title of publication: Synthesis of isoquinolin-1,4-diones <i>via</i> photocatalytic C(sp²)-C(sp³)-scission/oxidation of 4-(hydroxy(aryl)methyl)-isoquinolin-1(2<i>H</i>)-ones.
• Authors of publication: Zhao, Taotao; Liang, Qianyi; Gu, Keying; Huang, Jiangbin; Zhuang, Xiong; Hu, Jinhui; Wu, Jia-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 11
• Pages of publication: 3522 - 3525
• a: 8.3684 ± 0.0004 Å
• b: 8.5801 ± 0.0004 Å
• c: 8.9751 ± 0.0004 Å
• α: 89.554 ± 0.002°
• β: 83.754 ± 0.002°
• γ: 84.365 ± 0.002°
• Cell volume: 637.5 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1201
• 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