Information card for entry 7063637

Structure parameters

• Formula: C60 H44 N4 O4
• Calculated formula: C60 H44 N4 O4
• Title of publication: Absorption and anti-bacterial studies of an acetylene-functionalized Schiff base for detection of Sn(ii) and inhibition of E. coli
• Authors of publication: Singh, Gurjaspreet; Markan, Pallavi; Kaur, Navneet; Gupta, Sofia; Tamana,; Malik, Pooja; Sahoo, Subash Chandra; Gill, Baljinder Singh; Baliyan, Deepanjali
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 4256 - 4267
• a: 14.504 ± 0.0007 Å
• b: 17.0753 ± 0.0009 Å
• c: 19.3494 ± 0.0013 Å
• α: 94.638 ± 0.005°
• β: 99.617 ± 0.005°
• γ: 97.997 ± 0.004°
• Cell volume: 4652.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2835
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2932
• Weighted residual factors for all reflections included in the refinement: 0.4904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No