Information card for entry 7111834

Structure parameters

• Formula: C19 H22 N4 O2
• Calculated formula: C19 H22 N4 O2
• SMILES: C(=O)(N(c1ccccc1)c1ncccn1)N(C(C)(C)C)C(=O)/C=C/C
• Title of publication: A copper-mediated tandem reaction through isocyanide insertion into N-H bonds: efficient access to unsymmetrical tetrasubstituted ureas
• Authors of publication: Xiaomei Huang; Shuguang Xu; Qitao Tan; Mingchun Gao; Minjie Li; Bin Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1465
• a: 10.47 ± 0.02 Å
• b: 13.29 ± 0.03 Å
• c: 14.71 ± 0.03 Å
• α: 90°
• β: 105.91 ± 0.03°
• γ: 90°
• Cell volume: 1968 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2259
• Residual factor for significantly intense reflections: 0.1526
• Weighted residual factors for significantly intense reflections: 0.3146
• Weighted residual factors for all reflections included in the refinement: 0.404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No