Information card for entry 1548672

Structure parameters

• Chemical name: 3-Hexyl-5,5-diphenylimidazolidine-2,4-dione
• Formula: C21 H24 N2 O2
• Calculated formula: C21 H24 N2 O2
• SMILES: O=C1N(C(=O)NC1(c1ccccc1)c1ccccc1)CCCCCC
• Title of publication: 3-Hexyl-5,5-diphenylimidazolidine-2,4-dione
• Authors of publication: Guerrab, Walid; Mague, Joel T.; Taoufik, Jamal; Ramli, Youssef
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: x180057
• a: 8.5395 ± 0.0013 Å
• b: 8.9377 ± 0.0013 Å
• c: 23.444 ± 0.004 Å
• α: 90°
• β: 91.066 ± 0.002°
• γ: 90°
• Cell volume: 1789 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes