Information card for entry 1551280

Structure parameters

• Formula: C10 H10 Cl2 O
• Calculated formula: C10 H10 Cl2 O
• Title of publication: Enantioselective photoredox dehalogenative protonation
• Authors of publication: Hou, Meimei; Lin, Lu; Chai, Xiangpei; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 5.04728 ± 0.00018 Å
• b: 19.5159 ± 0.0006 Å
• c: 20.2528 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1994.95 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No