Information card for entry 1572561

Structure parameters

• Formula: C14 H16 N2 O2
• Calculated formula: C14 H16 N2 O2
• Title of publication: Deprotective Lossen rearrangement: a direct and general transformation of Nms-amides to unsymmetrical ureas
• Authors of publication: Spieß, Philipp; Brześkiewicz, Jakub; Maulide, Nuno
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 9.8956 ± 0.0005 Å
• b: 10.1319 ± 0.0005 Å
• c: 11.9988 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1203.01 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No