Information card for entry 2209997

Structure parameters

• Formula: C15 H15 N O4
• Calculated formula: C15 H15 N O4
• SMILES: o1c(C(=O)N[C@H](C(=O)OC)Cc2ccccc2)ccc1
• Title of publication: (<i>S</i>)-Methyl 2-[(furan-2-carbonyl)amino]-3-phenylpropanoate
• Authors of publication: Xiang Chao Zeng; Li Hong Li; Ying Zhou Cen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3254 - o3255
• a: 8.5817 ± 0.0012 Å
• b: 8.9505 ± 0.0014 Å
• c: 18.375 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1411.4 ± 0.4 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: 0.0329
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No