Information card for entry 7117358

Structure parameters

• Formula: C23 H24 Br N O4
• Calculated formula: C23 H24 Br N O4
• SMILES: Brc1ccc(cc1)C(=O)OC[C@@H]([C@@H]1N(c2c(cccc2)C=C1)C(=O)OC)CCC
• Title of publication: Copper(II)/amine synergistically catalyzed enantioselective alkylation of cyclic N-acyl hemiaminals with aldehydes
• Authors of publication: Shutao Sun; Ying Mao; Hongxiang Lou; Lei Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10691
• a: 5.1792 ± 0.0004 Å
• b: 11.1118 ± 0.0009 Å
• c: 36.24 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2085.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No