Information card for entry 8104663

Structure parameters

• Formula: C24 H21 F6 N O3
• Calculated formula: C24 H21 F6 N O3
• Title of publication: Crystal structure of 3,5-bis((E)-4-methoxy-2-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C24H21F6NO3
• Authors of publication: Zhou, Xia; 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: 1051 - 1053
• a: 16.0076 ± 0.001 Å
• b: 7.7424 ± 0.0004 Å
• c: 17.3259 ± 0.0011 Å
• α: 90°
• β: 96.161 ± 0.005°
• γ: 90°
• Cell volume: 2134.9 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No