Information card for entry 1546782

Structure parameters

• Chemical name: Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate
• Formula: C19 H20 N2 O5
• Calculated formula: C19 H20 N2 O5
• SMILES: [C@H](NC(=O)c1ccccc1)(N[C@H](c1ccccc1)C(=O)OC)C(=O)OC
• Title of publication: Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate
• Authors of publication: Karai, Oumaima; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 8
• Pages of publication: x171155
• a: 9.3432 ± 0.0006 Å
• b: 10.4314 ± 0.0008 Å
• c: 18.0901 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1763.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes