Information card for entry 8104677

Structure parameters

• Formula: C17 H14 F N O2
• Calculated formula: C17 H14 F N O2
• Title of publication: Crystal structure of (E)-7-fluoro-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2
• Authors of publication: Su, Xiang-Yi; Zhang, Xiao-Fan; Meng, Qing-Guo; Li, Hong-Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1101 - 1103
• a: 7.384 ± 0.0006 Å
• b: 10.9208 ± 0.0008 Å
• c: 16.7006 ± 0.0015 Å
• α: 90°
• β: 101.032 ± 0.009°
• γ: 90°
• Cell volume: 1321.84 ± 0.19 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No