Information card for entry 1507585

Structure parameters

• Formula: C24 H26 N2 O6
• Calculated formula: C24 H26 N2 O6
• SMILES: O[C@@]1([C@H](N(=O)=O)[C@H]([C@]2(C1)C(=O)N(c1c2cccc1)C(=O)OC(C)(C)C)c1ccccc1)C
• Title of publication: Assembly of Spirooxindole Derivatives Containing Four Consecutive Stereocenters via Organocatalytic Michael-Henry Cascade Reactions.
• Authors of publication: Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1834 - 1837
• a: 10.086 ± 0.0002 Å
• b: 10.0695 ± 0.0002 Å
• c: 11.2217 ± 0.0002 Å
• α: 90°
• β: 96.911 ± 0.001°
• γ: 90°
• Cell volume: 1131.41 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0316
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No