Information card for entry 2213286

Structure parameters

• Common name: N-(Boc-L-alanine)allylamine
• Chemical name: tert-butyl N-[1-(allylaminocarbonyl)ethyl]carbamate
• Formula: C11 H20 N2 O3
• Calculated formula: C11 H20 N2 O3
• SMILES: C[C@@H](C(=O)NCC=C)NC(=O)OC(C)(C)C
• Title of publication: <i>N</i>-(Boc-<small>L</small>-alanine)allylamine
• Authors of publication: Min Hong; Liangfei Tian; Yizhi Li; Jin Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2186 - o2187
• a: 9.9639 ± 0.0014 Å
• b: 14.939 ± 0.002 Å
• c: 17.998 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2679 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes