Information card for entry 4103031

Structure parameters

• Formula: C27 H34 N2 O5
• Calculated formula: C27 H34 N2 O5
• SMILES: O=C1N2[C@](OC(=O)[C@@H]2C)(C[C@@H]([C@]1(NC(=O)c1ccccc1)C)c1ccccc1)C.O(CC)CC
• Title of publication: Bispalladacycle-Catalyzed Brønsted Acid/Base-Promoted Asymmetric Tandem Azlactone Formation-Michael Addition
• Authors of publication: Manuel Weber; Sascha Jautze; Wolfgang Frey; René Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12222 - 12225
• a: 9.4054 ± 0.0013 Å
• b: 10.0178 ± 0.0018 Å
• c: 13.724 ± 0.002 Å
• α: 90°
• β: 93.009 ± 0.012°
• γ: 90°
• Cell volume: 1291.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1144
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No