Information card for entry 7117357

Structure parameters

• Formula: C24 H26 Br N O4
• Calculated formula: C24 H26 Br N O4
• SMILES: Brc1ccc(C(=O)OC[C@@H]([C@H]2N(C(=O)OC)c3c(C=C2)ccc(c3)C)CCC)cc1
• 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: 10.7238 ± 0.0009 Å
• b: 7.4576 ± 0.0007 Å
• c: 13.759 ± 0.0011 Å
• α: 90°
• β: 93.502 ± 0.001°
• γ: 90°
• Cell volume: 1098.3 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No