Information card for entry 1513459

Structure parameters

• Formula: C22 H21 N O5
• Calculated formula: C22 H21 N O5
• SMILES: c1(c2ccccc2ccc1)C(=O)N1C(C)(C)OC(=O)[C@@]1(C)[C@H](c1ccco1)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: 8.3847 ± 0.0002 Å
• b: 26.3518 ± 0.0009 Å
• c: 8.3634 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1847.91 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No