Information card for entry 7058223

Structure parameters

• Formula: C22 H16 O3 S
• Calculated formula: C22 H16 O3 S
• Title of publication: Efficient syntheses and antimicrobial activities of new thiophene containing pyranone and quinolinone derivatives using manganese(iii) acetate: the effect of thiophene on ring closure‒opening reactions
• Authors of publication: Özgür, Mehtap; Yılmaz, Mehmet; Nishino, Hiroshi; Çinar Avar, Eda; Dal, Hakan; Pekel, A. Tarık; Hökelek, Tuncer
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 15
• Pages of publication: 5737
• a: 9.9226 ± 0.0002 Å
• b: 15.7155 ± 0.0003 Å
• c: 11.5782 ± 0.0002 Å
• α: 90°
• β: 108.572 ± 0.003°
• γ: 90°
• Cell volume: 1711.47 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No