Information card for entry 7130752

Structure parameters

• Formula: C40 H36 Cl4 N8 O4
• Calculated formula: C40 H36 Cl4 N8 O4
• Title of publication: Photoredox-catalysed chlorination of quinoxalin-2(1H)-ones enabled by using CHCl3 as chlorine source
• Authors of publication: Yang, Hua; Wu, Mei-Chun; Li, Ming-Zhi; Chen, Jia-Yi; Xiao, Jun-An; Xiang, Haoyue; Chen, Kai
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.398 ± 0.0003 Å
• b: 10.9637 ± 0.0004 Å
• c: 11.9743 ± 0.0004 Å
• α: 90°
• β: 101.852 ± 0.0014°
• γ: 90°
• Cell volume: 950.53 ± 0.06 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No