Information card for entry 8104669

Structure parameters

• Formula: C17 H14 F N O2
• Calculated formula: C17 H14 F N O2
• Title of publication: Crystal structure of (E)-2-((3-fluoropyridin-4-yl)methylene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2
• Authors of publication: Wang, Chen; Wang, Lei; Meng, Qing-Guo; Huang, Zhi-Xin; Ma, Nuan-Nuan; 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: 1073 - 1075
• a: 8.0937 ± 0.0008 Å
• b: 7.1326 ± 0.0006 Å
• c: 22.367 ± 0.002 Å
• α: 90°
• β: 90.863 ± 0.009°
• γ: 90°
• Cell volume: 1291.1 ± 0.2 ų
• Cell temperature: 99.97 ± 0.16 K
• Ambient diffraction temperature: 99.97 ± 0.16 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No