Information card for entry 1576776

Structure parameters

• Formula: C56 H28 Br8 F4 N8 O4
• Calculated formula: C56 H28 Br8 F4 N8 O4
• Title of publication: A difluorocarbene-triggered annulation/ring expansion cascade via sequential single-atom-insertions: direct assembly of 2-fluoroquinazolinones from azo compounds
• Authors of publication: Tian, Yingxian; Xiong, Yiyan; Wei, Jingyu; Zhu, Gongming; Chang, Junbiao; Liu, Bingxian
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.3057 ± 0.0003 Å
• b: 15.3237 ± 0.0005 Å
• c: 16.8638 ± 0.0005 Å
• α: 90.985 ± 0.003°
• β: 109.561 ± 0.003°
• γ: 100.644 ± 0.003°
• Cell volume: 2695.72 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No