Information card for entry 2010227

Structure parameters

• Formula: C20 H21 F9 N2 O2
• Calculated formula: C20 H21 F9 N2 O2
• SMILES: O=C1N([C@H](N([C@@H]1CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)c1ccccc1)C(C)(C)C)C.O=C1N([C@@H](N([C@H]1CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)c1ccccc1)C(C)(C)C)C
• Title of publication: <i>rel</i>-(2<i>R</i>,5<i>R</i>)-1-Benzoyl-2-<i>tert</i>-butyl-3-methyl-5-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)imidazolidin-4-one at 100 K
• Authors of publication: Büchel, R.; Aebi, R.; Keese, R.; Venugopalan, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1803 - 1805
• a: 19.35 ± 0.01 Å
• b: 5.885 ± 0.003 Å
• c: 20.368 ± 0.01 Å
• α: 90°
• β: 111.9 ± 0.04°
• γ: 90°
• Cell volume: 2152 ± 2 ų
• Cell temperature: 100 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 1.826
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No