Information card for entry 2233189

Structure parameters

• Chemical name: (<i>S</i>)-Methyl 2-benzamido-3-(3,4-dimethoxyphenyl)propanoate
• Formula: C19 H21 N O5
• Calculated formula: C19 H21 N O5
• SMILES: COC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccc(c(c1)OC)OC
• Title of publication: (<i>S</i>)-Methyl 2-benzamido-3-(3,4-dimethoxyphenyl)propanoate
• Authors of publication: Naicker, Tricia; Govender, Thavendran; Kruger, Hendrick G.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o177
• a: 20.331 ± 0.009 Å
• b: 5.07 ± 0.003 Å
• c: 17.58 ± 0.009 Å
• α: 90°
• β: 108.489 ± 0.008°
• γ: 90°
• Cell volume: 1718.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1413
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes