Information card for entry 3500141

Structure parameters

• Chemical name: [1,3]Oxazolo[5,4-f][1,3]benzoxazole
• Formula: C8 H4 N2 O2
• Calculated formula: C8 H4 N2 O2
• Title of publication: [1,3]Oxazolo[5,4-f][1,3]benzoxazole - Non Spherical Structure Refinement
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2025
• a: 7.3324 ± 0.0003 Å
• b: 3.7048 ± 0.0001 Å
• c: 12.0905 ± 0.0005 Å
• α: 90°
• β: 98.447 ± 0.002°
• γ: 90°
• Cell volume: 324.88 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0196
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1655
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No