Information card for entry 4020025

Structure parameters

• Common name: Ac-Glu(Oet)-OMe
• Chemical name: 2-acetamido-4-etoxicarbonilbutanoato de metilo
• Formula: C10 H17 N O5
• Calculated formula: C10 H17 N O5
• Authors of publication: Alberto Avenoza; Jesus H Busto; Noelia Canal; Jesus M Peregrina
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 330 - 333
• a: 15.0571 ± 0.0005 Å
• b: 8.5111 ± 0.0003 Å
• c: 9.6337 ± 0.0003 Å
• α: 90°
• β: 105.119 ± 0.0007°
• γ: 90°
• Cell volume: 1191.88 ± 0.08 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 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: 0.1
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No