Information card for entry 7158989

Structure parameters

• Formula: C23 H16 N2 O
• Calculated formula: C23 H16 N2 O
• Title of publication: Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis
• Authors of publication: Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 11.034 ± 0.002 Å
• b: 14.502 ± 0.003 Å
• c: 11.291 ± 0.002 Å
• α: 90°
• β: 117.137 ± 0.005°
• γ: 90°
• Cell volume: 1607.8 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No