Information card for entry 2009458

Structure parameters

• Chemical name: (E)-1,3-Dibenzoyl-2-trifluoromethylpropene
• Formula: C18 H13 F3 O2
• Calculated formula: C18 H13 F6 O2
• Title of publication: (<i>E</i>)-1,3-Dibenzoyl-2-trifluoromethylpropene and 3-benzoyl-6-phenyl-2,4-bis(trifluoromethyl)-2<i>H</i>-pyran-2-ol: novel products from the oxidation of 1-phenyl-4,4,4-trifluorobut-2-yn-1-ol with active manganese(IV) oxide
• Authors of publication: Pritchard, R. G.; Tajammal, S.; Tipping, A. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 294 - 297
• a: 37.941 ± 0.008 Å
• b: 5 ± 0.003 Å
• c: 18.454 ± 0.002 Å
• α: 90°
• β: 118.01 ± 0.03°
• γ: 90°
• Cell volume: 3091 ± 2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0245
• Goodness-of-fit parameter for significantly intense reflections: 2.461
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No