Information card for entry 7154638

Structure parameters

• Formula: C6 H8 N2 O6
• Calculated formula: C6 H8 N2 O6
• SMILES: O1C(=O)C(NC(=O)CON(=O)=O)CC1
• Title of publication: Hybrids of acylated homoserine lactone and nitric oxide donors as inhibitors of quorum sensing and virulence factors in Pseudomonas aeruginosa.
• Authors of publication: Kutty, Samuel K.; Barraud, Nicolas; Ho, Kitty K. K.; Iskander, George M.; Griffith, Renate; Rice, Scott A.; Bhadbhade, Mohan; Willcox, Mark D. P.; Black, David StC; Kumar, Naresh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 38
• Pages of publication: 9850 - 9861
• a: 10.0324 ± 0.0006 Å
• b: 5.2469 ± 0.0002 Å
• c: 16.142 ± 0.0009 Å
• α: 90°
• β: 101.826 ± 0.003°
• γ: 90°
• Cell volume: 831.66 ± 0.08 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No