Information card for entry 2209433

Structure parameters

• Chemical name: N-Benzoyl-N,N'-dicyclohexylurea
• Formula: C20 H28 N2 O2
• Calculated formula: C20 H28 N2 O2
• SMILES: N(C(=O)NC1CCCCC1)(C(=O)c1ccccc1)C1CCCCC1
• Title of publication: <i>N</i>-Benzoyl-<i>N</i>,<i>N</i>'-dicyclohexylurea
• Authors of publication: Orea Flores, Ma. Laura; Galindo Guzmán, Alberto; Gnecco Medina, Dino; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2922 - o2923
• a: 9.706 ± 0.0014 Å
• b: 12.0125 ± 0.0012 Å
• c: 16.2342 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1892.8 ± 0.4 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.0577
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes