Information card for entry 1513455

Structure parameters

• Formula: C24 H23 N O4
• Calculated formula: C24 H23 N O4
• SMILES: [C@@]1(C(=O)OC(C)(C)N1C(=O)c1cccc2ccccc12)(C)[C@H](c1ccccc1)O.[C@]1(C(=O)OC(C)(C)N1C(=O)c1cccc2ccccc12)(C)[C@@H](c1ccccc1)O
• 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: 14.8441 ± 0.0007 Å
• b: 7.7448 ± 0.0003 Å
• c: 18.0075 ± 0.0009 Å
• α: 90°
• β: 113.215 ± 0.001°
• γ: 90°
• Cell volume: 1902.6 ± 0.15 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No