Information card for entry 7155695

Structure parameters

• Formula: C8.5 H11.5 N2.5 O2.5 S
• Calculated formula: C8.5 H11.5 N2.5 O2.5 S
• 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: 9.7434 ± 0.0005 Å
• b: 9.8225 ± 0.0005 Å
• c: 12.0241 ± 0.0006 Å
• α: 92.357 ± 0.002°
• β: 104.697 ± 0.003°
• γ: 106.384 ± 0.002°
• Cell volume: 1060.01 ± 0.1 ų
• Cell temperature: 153.54 K
• Ambient diffraction temperature: 153.54 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No