Information card for entry 2011015

Structure parameters

• Common name: oxazol-5(4H)-one from Z-(Aib)~4~-OH
• Chemical name: benzyl N-[8-(4,4-dimethyl-5-oxooxazol-2-yl)-2,5,5,8-tetramethyl-3,6-dioxo-4,7- diazanon-2-yl]carbamate
• Formula: C24 H34 N4 O6
• Calculated formula: C24 H34 N4 O6
• SMILES: c1(ccccc1)COC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C1=NC(C)(C)C(=O)O1
• Title of publication: An oxazol-5(4<i>H</i>)-one from benzyloxycarbonyl-(Aib)~4~-OH
• Authors of publication: Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 695 - 696
• a: 9.324 ± 0.002 Å
• b: 25.149 ± 0.003 Å
• c: 11.753 ± 0.002 Å
• α: 90°
• β: 108 ± 0.05°
• γ: 90°
• Cell volume: 2621.1 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes