Information card for entry 7161061

Structure parameters

• Formula: C16 H13 N O
• Calculated formula: C16 H13 N O
• Title of publication: Koser’s Reagent Promoted Synthesis of Substituted Isoxazoles and their Photophysical Properties
• Authors of publication: Budhwan, Rajnish; Dahiya, Pooja; Singh, Nikunj; Chauhan, Shivom; Peddinti, Rama Krishna
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 12.0197 ± 0.0005 Å
• b: 17.7856 ± 0.0008 Å
• c: 12.4927 ± 0.0006 Å
• α: 90°
• β: 152.949 ± 0.001°
• γ: 90°
• Cell volume: 1214.57 ± 0.1 ų
• Cell temperature: 108 K
• Ambient diffraction temperature: 108 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: 0.0429
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No