Information card for entry 7130143

Structure parameters

• Common name: YV479
• Formula: C18 H12 Cl2 N4 O2
• Calculated formula: C18 H12 Cl2 N4 O2
• SMILES: c1(cc2c(cc1)n(C)c(=O)c(c1c(=O)n(C)c3c(cc(cc3)Cl)n1)n2)Cl
• Title of publication: KOtBu-promoted C3-homocoupling of quinoxalinones through single electron transfer from a sp2 carbanion intermediate
• Authors of publication: Kwon, Na Yeon; Mishra, Neeraj Kumar; Park, Jung Su; Woo, Sang Kook; Ghosh, Prithwish; Kim, In Su
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.4478 ± 0.0005 Å
• b: 9.0425 ± 0.0006 Å
• c: 12.7861 ± 0.0008 Å
• α: 74.939 ± 0.002°
• β: 86.769 ± 0.002°
• γ: 84.018 ± 0.002°
• Cell volume: 826.61 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No