Information card for entry 2232961

Structure parameters

• Chemical name: 1,3-Dicyclohexylimidazolidine-2,4,5-trione
• Formula: C15 H22 N2 O3
• Calculated formula: C15 H22 N2 O3
• SMILES: N1(C(=O)N(C(=O)C1=O)C1CCCCC1)C1CCCCC1
• Title of publication: 1,3-Dicyclohexylimidazolidine-2,4,5-trione
• Authors of publication: Talhi, Oualid; Fernandes, José A.; Pinto, Diana C. G. A.; Silva, Artur M. S.; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3243
• a: 6.5539 ± 0.0008 Å
• b: 11.5029 ± 0.0015 Å
• c: 19.524 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1471.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1495
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.2824
• Weighted residual factors for all reflections included in the refinement: 0.3201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes