Information card for entry 7120270

Structure parameters

• Formula: C29 H26 N2 O6
• Calculated formula: C29 H26 N2 O6
• SMILES: c1cccc2c1[C@@](C(=O)N2C(=O)OC(C)(C)C)(c1ccccc1)C[C@H]1C(=O)N(C(=O)O1)c1ccccc1
• Title of publication: Asymmetric tandem conjugate addition−protonation to forge chiral secondary C−O bond for quaternary carbon stereocenters at the nonadjacent β-position
• Authors of publication: Hong, San-Ni; Liu, Yang; Lee, Richmond; Jiang, Zhiyong
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 12.4756 ± 0.0005 Å
• b: 11.9717 ± 0.0006 Å
• c: 17.9467 ± 0.0007 Å
• α: 90°
• β: 105.597 ± 0.004°
• γ: 90°
• Cell volume: 2581.7 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0484
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No