Information card for entry 2218619

Structure parameters

• Chemical name: (<i>S</i>)-1,5-Dibenzyl-3-<i>tert</i>-butylimidazolidin-4-one
• Formula: C21 H26 N2 O
• Calculated formula: C21 H26 N2 O
• SMILES: N1(CN(C(=O)[C@@H]1Cc1ccccc1)C(C)(C)C)Cc1ccccc1
• Title of publication: (<i>S</i>)-1,5-Dibenzyl-3-<i>tert</i>-butylimidazolidin-4-one
• Authors of publication: Zheng, Jian-Feng; Guo, Jian-Nan; Huang, Su-Yu; Teng, Bo; Jin, Li-Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1330
• a: 9.4112 ± 0.0006 Å
• b: 11.4713 ± 0.0007 Å
• c: 17.0556 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1841.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0481
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes