Information card for entry 7134844

Structure parameters

• Formula: C17 H14 N2 O3
• Calculated formula: C17 H14 N2 O3
• Title of publication: KOtBu-Mediated Annulation for the Pot-Economical Synthesis of Quinazolinobenzoxazepines
• Authors of publication: Basak, Soumya Jyoti; Dash, Jyotirmayee
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 14.2794 ± 0.0011 Å
• b: 4.2726 ± 0.0003 Å
• c: 22.8872 ± 0.0018 Å
• α: 90°
• β: 100.816 ± 0.003°
• γ: 90°
• Cell volume: 1371.55 ± 0.18 ų
• Cell temperature: 298.33 K
• Ambient diffraction temperature: 298.33 K
• Number of distinct elements: 4
• 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: 0.0765
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No