Information card for entry 8107485

Structure parameters

• Formula: C18 H12 F4 O
• Calculated formula: C18 H12 F4 O
• Title of publication: Crystal structure of E-7-fluoro-2-(2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H12F4O
• Authors of publication: Zhang, Juan; Hou, Yun; Zhao, Feng-Lan; Meng, Qing-Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 525 - 527
• a: 7.94 ± 0.0008 Å
• b: 8.1071 ± 0.0009 Å
• c: 13.3238 ± 0.0015 Å
• α: 89.394 ± 0.009°
• β: 76.343 ± 0.009°
• γ: 63.411 ± 0.011°
• Cell volume: 740.79 ± 0.16 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: 0.0751
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No