Information card for entry 7161012

Structure parameters

• Formula: C19 H17 N O3
• Calculated formula: C19 H17 N O3
• Title of publication: Synthesis of oxaprozin analogs from 2H-azirines and cyclic anhydrides
• Authors of publication: Azimi, Rayhaneh; Amiri, Kamran; Hosseini, S. Sina; Stranger, Rob; Ariafard, Alireza; Rominger, Frank; Bijanzadeh, Hamid Reza; Balalaie, Saeed
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 6.1263 ± 0.0005 Å
• b: 10.18 ± 0.0008 Å
• c: 12.5965 ± 0.001 Å
• α: 92.875 ± 0.0018°
• β: 98.3576 ± 0.0017°
• γ: 90.9987 ± 0.0019°
• Cell volume: 776.03 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No