Information card for entry 7135814

Structure parameters

• Formula: C15 H10 Br N2 O2
• Calculated formula: C15 H10 Br N2 O2
• Title of publication: Mechanistically Orthogonal Radical Strategies Converging on Programmable Site-Selective Halogenation of Quinoxalinones
• Authors of publication: Biswal, Chidananda; Nayek, Pravat; Maity, Sandeepan; Mal, Prasenjit
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 7.4693 ± 0.0006 Å
• b: 10.4315 ± 0.0011 Å
• c: 16.487 ± 0.0017 Å
• α: 90°
• β: 99.938 ± 0.009°
• γ: 90°
• Cell volume: 1265.3 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0735
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No