Information card for entry 7248430

Structure parameters

• Formula: C51 H39 Cl3 N2 O12
• Calculated formula: C51 H39 Cl3 N2 O12
• Title of publication: Synthesis and study of antibiofilm and antivirulence properties of flavonol analogues generated by palladium catalyzed ligand free Suzuki–Miyaura coupling against Pseudomonas aeruginosa PAO1
• Authors of publication: Benny, Anjitha Theres; Thamim, Masthan; Srivastava, Prakhar; Suresh, Sindoora; Thirumoorthy, Krishnan; Rangasamy, Loganathan; S., Karthikeyan; Easwaran, Nalini; Radhakrishnan, Ethiraj Kannatt
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 12278 - 12293
• a: 8.928 ± 0.004 Å
• b: 13.417 ± 0.007 Å
• c: 20.372 ± 0.007 Å
• α: 100.79 ± 0.02°
• β: 95.217 ± 0.017°
• γ: 100.557 ± 0.016°
• Cell volume: 2336.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1051
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No