Information card for entry 8104883

Structure parameters

• Formula: C20 H14 F6 O2
• Calculated formula: C20 H14 F6 O2
• Title of publication: Crystal structure of (E)-2-(3,5-bis(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen- 1(2H)-one, C20H14F6O2
• Authors of publication: Luan, Ming-Zhu; Wang, Hui-yun; Zhang, Mei; Song, Jia; Hou, Gui-Ge; 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: 61 - 63
• a: 14.791 ± 0.002 Å
• b: 8.5303 ± 0.0009 Å
• c: 15.531 ± 0.003 Å
• α: 90°
• β: 115.474 ± 0.019°
• γ: 90°
• Cell volume: 1769.1 ± 0.5 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0901
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No