Information card for entry 2009477

Structure parameters

• Formula: C21 H23 N5 O5
• Calculated formula: C21 H25 N5 O5
• SMILES: OC(=O)[C@H]1CCCN1C(=O)/C(=C/Nc1nc(C)cc(n1)C)NC(=O)c1ccccc1.O
• 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: 9.398 ± 0.001 Å
• b: 18.422 ± 0.002 Å
• c: 12.663 ± 0.001 Å
• α: 90°
• β: 91.46 ± 0.01°
• γ: 90°
• Cell volume: 2191.6 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 0.7469
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No