Information card for entry 8107535

Structure parameters

• Formula: C17 H12 F2 O
• Calculated formula: C17 H12 F2 O
• SMILES: C1(=O)C(=C\c2ccc(cc2)F)\CCc2ccc(cc12)F
• Title of publication: Crystal structure of (E)-7-fluoro-2-(4-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C17H12F2O
• Authors of publication: Wei, Pan-Pan; Meng, Qing-Guo; Wang, Bao-Gang; Hou, Gui-Ge; Song, Ya-Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 701 - 703
• a: 7.957 ± 0.0014 Å
• b: 8.9872 ± 0.0019 Å
• c: 9.3974 ± 0.0016 Å
• α: 94.467 ± 0.016°
• β: 96.737 ± 0.014°
• γ: 103.162 ± 0.016°
• Cell volume: 646 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No