Information card for entry 4027972

Structure parameters

• Common name: 11197a
• Formula: C19 H19 N O6
• Calculated formula: C19 H19 N O6
• SMILES: O=C1OC[C@H](N1[C@@H]1C(=O)C[C@H]2O[C@@]1(C(=C2)C)C(=O)OC)c1ccccc1
• 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: 9.0163 ± 0.0009 Å
• b: 8.9386 ± 0.0009 Å
• c: 10.7156 ± 0.001 Å
• α: 90°
• β: 104.137 ± 0.001°
• γ: 90°
• Cell volume: 837.45 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No