Information card for entry 8105113

Structure parameters

• Formula: C24 H18 F2 N2 O3 S
• Calculated formula: C24 H18 F2 N2 O3 S
• Title of publication: Crystal structure and anti-inflammatory activity of (3E,5E)-3-(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)-5-(pyridin-3-ylmethylene)piperidin-4-one, C24H18F2N2O3S
• Authors of publication: Sun, Yue; Liu, Yin-Kai; Li, Jia-Dong; Meng, Qing-Guo; Hou, Gui-Ge
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 377 - 379
• a: 15.18 ± 0.005 Å
• b: 10.221 ± 0.003 Å
• c: 13.556 ± 0.004 Å
• α: 90°
• β: 106.628 ± 0.004°
• γ: 90°
• Cell volume: 2015.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No