Information card for entry 8107401

Structure parameters

• Formula: C19 H14 F4 O2
• Calculated formula: C19 H14 F4 O2
• Title of publication: Crystal structure of E-7-fluoro-2-(4-methoxy-3-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
• Authors of publication: Liu, Yi-Bin; Xu, Yang-Rong; Wang, Wen-Shui; Jiang, Sheng; Zhao, Feng-Lan; Meng, Qing-Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 223 - 225
• a: 8.3798 ± 0.0006 Å
• b: 9.2019 ± 0.0007 Å
• c: 10.4504 ± 0.0007 Å
• α: 77.941 ± 0.006°
• β: 85.712 ± 0.006°
• γ: 79.078 ± 0.006°
• Cell volume: 773.25 ± 0.1 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: 0.0577
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No