Information card for entry 4027974

Structure parameters

• Formula: C20 H24 N2 O3
• Calculated formula: C20 H24 N2 O3
• SMILES: O=C1N([C@@H]([C@@H](N1C)C)c1ccccc1)[C@H]1C(=O)C[C@@H]2O[C@]1(C(=C2)C)C
• Title of publication: Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans
• Authors of publication: Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 1753 - 1759
• a: 14.202 ± 0.002 Å
• b: 6.261 ± 0.0009 Å
• c: 19.724 ± 0.003 Å
• α: 90°
• β: 94.402 ± 0.002°
• γ: 90°
• Cell volume: 1748.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No