Information card for entry 1572990

Structure parameters

• Chemical name: 1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride
• Formula: C14 H20 Cl N O5
• Calculated formula: C14 H20 Cl N O5
• Title of publication: 1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride
• Authors of publication: Schollmeyer, Dieter; Proz, Igor; Detert, Heiner
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 10
• a: 20.5205 ± 0.0009 Å
• b: 8.1626 ± 0.0003 Å
• c: 9.4732 ± 0.0004 Å
• α: 90°
• β: 90.788 ± 0.004°
• γ: 90°
• Cell volume: 1586.62 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No