Information card for entry 7107514

Structure parameters

• Formula: C18 H20 F N O2
• Calculated formula: C18 H20 F N O2
• SMILES: F[C@H]([C@](O)(c1ccccc1)C)C(=O)N[C@@H](C)c1ccccc1
• Title of publication: Synthesis of a-fluoro-B-hydroxy esters by an enantioselective Reformatsky-type reaction
• Authors of publication: Michal Fornalczyk; Kuldip Singh; Alison M. Stuart
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3500
• a: 19.119 ± 0.006 Å
• b: 5.5114 ± 0.0016 Å
• c: 15.207 ± 0.004 Å
• α: 90°
• β: 109.351 ± 0.006°
• γ: 90°
• Cell volume: 1511.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No