Information card for entry 1513458

Structure parameters

• Formula: C24 H22 F N O4
• Calculated formula: C24 H22 F N O4
• SMILES: c12ccccc1cccc2C(=O)N1C(C)(C)OC(=O)[C@@]1(C)[C@@H](c1ccccc1F)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: 9.4102 ± 0.0003 Å
• b: 10.467 ± 0.0004 Å
• c: 10.3023 ± 0.0004 Å
• α: 90°
• β: 98.469 ± 0.001°
• γ: 90°
• Cell volume: 1003.68 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0378
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No