Information card for entry 2005156

Structure parameters

• Chemical name: Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate
• Formula: C18 H19 N O4
• Calculated formula: C18 H19 N O4
• SMILES: O(C)C(=O)C(NC(=O)OC)C(c1ccccc1)c1ccccc1
• Title of publication: Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate, an Interesting Diphenylalanine (DIP) Derivative
• Authors of publication: Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1789 - 1791
• a: 8.222 ± 0.002 Å
• b: 12.244 ± 0.003 Å
• c: 17.277 ± 0.004 Å
• α: 90°
• β: 99 ± 0.01°
• γ: 90°
• Cell volume: 1717.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2105
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections: 0.2042
• Weighted residual factors for significantly intense reflections: 0.1431
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No