Information card for entry 2011849

Structure parameters

• Common name: Boc-Aib-Obzl
• Chemical name: tert butyloxycarbonyl-α-aminoisobutyrate
• Formula: C16 H23 N O4
• Calculated formula: C16 H23 N O4
• SMILES: N(C(C(=O)OCc1ccccc1)(C)C)C(=O)OC(C)(C)C
• Title of publication: Benzyl <i>tert</i>-butoxycarbonyl-α-aminoisobutyrate
• Authors of publication: Leduc, Anne-Marie; Mashuta, Mark S.; Spatola, Arno F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 487 - 488
• a: 9.273 ± 0.003 Å
• b: 9.333 ± 0.003 Å
• c: 10.372 ± 0.004 Å
• α: 94.16 ± 0.02°
• β: 112.17 ± 0.02°
• γ: 93.09 ± 0.02°
• Cell volume: 825.9 ± 0.5 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: 0.06
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No