Information card for entry 2213857

Structure parameters

• Chemical name: 4-[4-(Benzyloxy)phenyl]-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
• Formula: C17 H13 F3 O3
• Calculated formula: C17 H13 F3 O3
• Title of publication: 4-[4-(Benzyloxy)phenyl]-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
• Authors of publication: Dun-Jia Wang; Ling Fan; Jing Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2979 - o2979
• a: 7.6226 ± 0.0011 Å
• b: 11.0708 ± 0.0015 Å
• c: 17.748 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1497.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes