Information card for entry 2008162

Structure parameters

• Chemical name: tert-butyl N-(1-aminocarbonyl-1-isopropylbut-3-enyl)carbamate
• Formula: C13 H24 N2 O3
• Calculated formula: C13 H24 N2 O3
• SMILES: O=C(N)C(NC(=O)OC(C)(C)C)(CC=C)C(C)C
• Title of publication: 2-<i>tert</i>-Butoxycarbonylamino-2-isopropyl-4-pentenamide, a new conformationally restricted α,α-dialkylglycine derivative
• Authors of publication: Badorrey, Ramón; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.; Lapeña, Yolanda
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 241 - 243
• a: 10.696 ± 0.005 Å
• b: 11.305 ± 0.005 Å
• c: 13.301 ± 0.005 Å
• α: 90 ± 0.005°
• β: 110.06 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1510.8 ± 1.1 ų
• Cell 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 significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes