Information card for entry 8104676

Structure parameters

• Formula: C17 H14 F N O2
• Calculated formula: C17 H14 F N O2
• Title of publication: Crystal structure and anti-inflammatory activity of (E)-7-fluoro-2-((5-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2
• Authors of publication: Sun, Jia-Jia; Zhang, Xiao-Fan; Meng, Qing-Guo; Li, Hong-Juan; Wang, Chun-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1097 - 1099
• a: 15.5754 ± 0.0012 Å
• b: 7.4828 ± 0.0006 Å
• c: 23.0981 ± 0.0018 Å
• α: 90°
• β: 90.797 ± 0.007°
• γ: 90°
• Cell volume: 2691.8 ± 0.4 ų
• Cell temperature: 100 ± 0.18 K
• Ambient diffraction temperature: 100 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No