Information card for entry 1506107

Structure parameters

• Formula: C19 H24 N2 O2
• Calculated formula: C19 H24 N2 O2
• SMILES: O=C(N[C@@H](C)c1ccccc1)[C@H]([C@H](O)C)[C@@H](N)c1ccccc1
• Title of publication: Enantioselective nitrone cycloadditions of alpha,beta-unsaturated 2-acyl imidazoles catalyzed by bis(oxazolinyl)pyridine-cerium(IV) triflate complexes.
• Authors of publication: Evans, David A.; Song, Hyun-Ji; Fandrick, Keith R.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 15
• Pages of publication: 3351 - 3354
• a: 9.6027 ± 0.0014 Å
• b: 10.0645 ± 0.0016 Å
• c: 11.093 ± 0.0017 Å
• α: 110.209 ± 0.003°
• β: 109.26 ± 0.003°
• γ: 101.701 ± 0.003°
• Cell volume: 887 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No