Information card for entry 1577156

Structure parameters

• Formula: C10 H12 Cl N O2
• Calculated formula: C10 H12 Cl N O2
• Title of publication: Overriding the Radical Polarity Matching Principle: Selective Chlorohydroxylation of Electron-Deficient Alkenes Enabled by Ce Photocatalysis
• Authors of publication: Ou, Luchuan; Bai, Yihang; Liu, Shanshuo; Kan, Zongling; Lan, Yu; Zhu, Jiali; Liu, Shihan; Ren, Zhigang; Li, Shi-Jun; Niu, Linbin
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.3905 ± 0.0005 Å
• b: 10.3427 ± 0.0007 Å
• c: 9.0688 ± 0.0004 Å
• α: 90°
• β: 91.417 ± 0.004°
• γ: 90°
• Cell volume: 1068.06 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0901
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No