Information card for entry 2009476

Structure parameters

• Formula: C17 H18 N4 O3
• Calculated formula: C8.5 H9 N2 O1.5
• SMILES: COC(=O)C(=C/Nc1nc(C)cc(n1)C)/NC(=O)c1ccccc1
• Title of publication: Three substituted 3-amino-2-benzoylaminopropenoic acid derivatives
• Authors of publication: Djinović-Carugo, K.; Golič, L.; Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.; Tate, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 239 - 245
• a: 36.05 ± 0.005 Å
• b: 4.943 ± 0.001 Å
• c: 19.793 ± 0.003 Å
• α: 90°
• β: 108.72 ± 0.01°
• γ: 90°
• Cell volume: 3340.4 ± 1 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No