Information card for entry 7157510

Structure parameters

• Formula: C14 H23 Cl N2 O2
• Calculated formula: C14 H23 Cl N2 O2
• Title of publication: Synthesis of unsymmetrical urea derivatives via one-pot sequential three-component reactions of cyclic 2-diazo-1,3-diketones, carbodiimides, and 1,2-dihaloethanes.
• Authors of publication: He, Xinwei; Yang, Cheng; Wu, Yinsong; Xie, Mengqing; Li, Ruxue; Duan, Jiahui; Shang, Yongjia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4178 - 4182
• a: 13.9531 ± 0.0013 Å
• b: 18.3735 ± 0.0017 Å
• c: 12.488 ± 0.0012 Å
• α: 90°
• β: 90.003 ± 0.003°
• γ: 90°
• Cell volume: 3201.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• 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: 0.104
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No