Information card for entry 2222910

Structure parameters

• Chemical name: Ethyl 3-[(3,5-dimethylphenyl)aminocarbonyl]propanoate
• Formula: C14 H19 N O3
• Calculated formula: C14 H19 N O3
• Title of publication: Ethyl 3-[(3,5-dimethylphenyl)aminocarbonyl]propanoate
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2039
• a: 19.938 ± 0.002 Å
• b: 19.938 ± 0.002 Å
• c: 7.0367 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2797.3 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes