Information card for entry 7058164

Structure parameters

• Chemical name: 1
• Formula: C44 H42 N6 O2
• Calculated formula: C44 H42 N6 O2
• Title of publication: Synthesis of 1,2,4-oxadiazolidines via [3+2] cycloaddition of nitrones with carbodiimides
• Authors of publication: Chen, Yuan; Fuyue, Liuting; Wang, Gangqiang; Wang, Hang; Lu, Chun; Guo, Haibing; St. Amant, Chiara; Sun, Shaofa; Xing, Yalan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4329
• a: 7.9101 ± 0.0001 Å
• b: 25.8295 ± 0.0004 Å
• c: 18.55 ± 0.0003 Å
• α: 90°
• β: 90.279 ± 0.002°
• γ: 90°
• Cell volume: 3789.98 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0632
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No