Information card for entry 8104879

Structure parameters

• Formula: C19 H14 F4 O2
• Calculated formula: C19 H14 F4 O2
• SMILES: C1(=O)/C(=C/c2cc(c(cc2)F)C(F)(F)F)CCc2ccc(cc12)OC
• Title of publication: Crystal structure of (E)-2-(4-fluoro-3-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
• Authors of publication: Zhang, Xiao-Fan; Wang, Hui-yun; Zhao, Sheng-Nan; Zhang, Sheng-Nan; Zhao, Feng-Lan; Meng, Qing-Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 47 - 49
• a: 8.1539 ± 0.0007 Å
• b: 8.8584 ± 0.0006 Å
• c: 11.8025 ± 0.0009 Å
• α: 73.186 ± 0.007°
• β: 76.184 ± 0.007°
• γ: 69.512 ± 0.007°
• Cell volume: 755.39 ± 0.11 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0572
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No