Information card for entry 2005830

Structure parameters

• Chemical name: N-(tert-Butoxycarbonyl)-2-phenylglycine
• Formula: C13 H17 N O4
• Calculated formula: C13 H17 N O4
• SMILES: OC(=O)C(NC(=O)OC(C)(C)C)c1ccccc1
• Title of publication: <i>N</i>-(<i>tert</i>-Butoxycarbonyl)-2-phenylglycine
• Authors of publication: González-Cameno, A. M.; Badía, D.; Domínguez, E.; Arriortua, M. I.; Urtiaga, M. K.; Solans, X.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3169 - 3171
• a: 5.309 ± 0.005 Å
• b: 10.548 ± 0.004 Å
• c: 12.514 ± 0.004 Å
• α: 104.55 ± 0.003°
• β: 95.6 ± 0.005°
• γ: 103.43 ± 0.005°
• Cell volume: 650.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1159
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections: 0.3275
• Weighted residual factors for significantly intense reflections: 0.2115
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No