Information card for entry 7160912

Structure parameters

• Formula: C24 H17 N O4
• Calculated formula: C24 H17 N O4
• Title of publication: Solvent-assisted one-pot green and diastereoselective synthesis of 1,4-oxazines and 1,4-thioxazines under metal-free conditions
• Authors of publication: Ahmad, Farukh; Singh, Rajeev; Ahmed, Naseem
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 20.836 ± 0.004 Å
• b: 7.1335 ± 0.0013 Å
• c: 21.837 ± 0.005 Å
• α: 90°
• β: 146.592 ± 0.005°
• γ: 90°
• Cell volume: 1787.1 ± 0.7 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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: 0.0824
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No