Information card for entry 8104665

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-2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
• Authors of publication: Meng, Qing-Guo; Zhao, Sheng-Nan; Sun, Zhong-Hao; Shan, Guang-Zhi; Meng, Qing-Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1059 - 1061
• a: 11.8614 ± 0.001 Å
• b: 7.9148 ± 0.0006 Å
• c: 16.7999 ± 0.0016 Å
• α: 90°
• β: 99.15 ± 0.009°
• γ: 90°
• Cell volume: 1557.1 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.115
• 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