Information card for entry 7161022

Structure parameters

• Formula: C15 H15 N3 O3
• Calculated formula: C15 H15 N3 O3
• Title of publication: Iron-catalyzed oxidative cleavage of C-N bonds of tertiary amines: syntheses of unsymmetrical ureas from isocyanates.
• Authors of publication: Aizezi, Bumairemu; Yusan, Bulunuer; Sun, Pinchang; Wusiman, Abudureheman
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 905 - 910
• a: 15.382 ± 0.00014 Å
• b: 20.5919 ± 0.0002 Å
• c: 17.87192 ± 0.00016 Å
• α: 90°
• β: 98.5017 ± 0.0009°
• γ: 90°
• Cell volume: 5598.63 ± 0.09 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No