Information card for entry 2205171

Structure parameters

• Chemical name: Ethyl 2-methoxycarbonylamino-3-phenylpropionate
• Formula: C13 H17 N O4
• Calculated formula: C13 H17 N O4
• SMILES: O(C(=O)NC(C(=O)OCC)Cc1ccccc1)C
• Title of publication: Ethyl 2-methoxycarbonylamino-3-phenylpropionate
• Authors of publication: Bin Tan; Hua Fang; Zan-Bin Wei; Li-Ren Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o298 - o300
• a: 8 ± 0.004 Å
• b: 8.753 ± 0.004 Å
• c: 9.752 ± 0.005 Å
• α: 102.716 ± 0.009°
• β: 94.939 ± 0.008°
• γ: 94.976 ± 0.009°
• Cell volume: 659.7 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No