Information card for entry 8105321

Structure parameters

• Formula: C26 H20 Cl3 F2 N O3 S
• Calculated formula: C26 H20 Cl3 F2 N O3 S
• Title of publication: Crystal structure and anti-inflammatory activity of (3E,5E)-1-((4-chlorophenyl)sulfonyl)-3,5-bis(4-fluorobenzylidene)piperidin-4-one-dichloromethane (1/1), C26H20Cl3F2NO3S
• Authors of publication: Zhang, Li-Xia; Hou, Yun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 891 - 893
• a: 8.6281 ± 0.0007 Å
• b: 11.3695 ± 0.0009 Å
• c: 14.3529 ± 0.0011 Å
• α: 68.166 ± 0.007°
• β: 80.707 ± 0.007°
• γ: 71.169 ± 0.007°
• Cell volume: 1235.65 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No