Information card for entry 1513456

Structure parameters

• Formula: C24 H22 Br N O4
• Calculated formula: C24 H22 Br N O4
• SMILES: c1(cccc(c1)[C@@H]([C@]1(C(=O)OC(C)(C)N1C(=O)c1cccc2ccccc12)C)O)Br.c1(cccc(c1)[C@H]([C@@]1(C(=O)OC(C)(C)N1C(=O)c1cccc2ccccc12)C)O)Br
• Title of publication: Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.
• Authors of publication: Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 788 - 791
• a: 8.0051 ± 0.0002 Å
• b: 17.9833 ± 0.0006 Å
• c: 28.7749 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4142.4 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0483
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No