Information card for entry 4108338

Structure parameters

• Common name: (R)-N-((2-chloroethoxy)(phenyl)methyl)benzamide
• Formula: C16 H16 Cl N O2
• Calculated formula: C16 H16 Cl N O2
• SMILES: ClCCO[C@@H](NC(=O)c1ccccc1)c1ccccc1
• Title of publication: Catalytic Asymmetric Addition of Alcohols to Imines: Enantioselective Preparation of Chiral N,O-Aminals
• Authors of publication: Guilong Li; Frank R. Fronczek; Jon C. Antilla
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12216 - 12217
• a: 5.099 ± 0.001 Å
• b: 11.694 ± 0.002 Å
• c: 23.476 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1399.8 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.086
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No