Information card for entry 8104959

Structure parameters

• Formula: C17 H12 F2 O
• Calculated formula: C17 H12 F2 O
• SMILES: C1(=O)/C(=C/c2cc(ccc2)F)CCc2ccc(cc12)F
• Title of publication: Crystal structure of (E)-7-fluoro-2-(3-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C17H12F2O1
• Authors of publication: Song, Jia; Zhao, Feng-Lan; Wang, Qi-bao; Meng, Qing-Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 55 - 57
• a: 7.3632 ± 0.0008 Å
• b: 8.6467 ± 0.0009 Å
• c: 11.3278 ± 0.0011 Å
• α: 87.633 ± 0.008°
• β: 88.022 ± 0.008°
• γ: 65.364 ± 0.01°
• Cell volume: 654.88 ± 0.13 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: 0.0515
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No