Information card for entry 7155694

Structure parameters

• Formula: C26 H26 N10 O8
• Calculated formula: C26 H26 N10 O8
• SMILES: c1c2CNC(=O)C(=O)c3ccccc3NC(=O)Cn3c(cnn3)CNC(=O)C(=O)c3c(cccc3)NC(=O)Cn2nn1.O.O
• Title of publication: Synthesis and Biological Evaluation of Novel Acyclic and Cyclic Glyoxamides as Bacterial Quorum Sensing and Biofilm Inhibitors
• Authors of publication: Nizalapur, Shashidhar; Kimyon, Onder; Yee, Eugene; Bhadbhade, Mohan; Manefield, Mike; Willcox, Mark D.P.; Black, David StClair; Kumar, Naresh
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 7.428 ± 0.004 Å
• b: 10.364 ± 0.007 Å
• c: 10.401 ± 0.006 Å
• α: 60.81 ± 0.02°
• β: 86.52 ± 0.03°
• γ: 88.14 ± 0.03°
• Cell volume: 697.7 ± 0.7 ų
• Cell temperature: 157.54 K
• Ambient diffraction temperature: 157.54 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1642
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No