Information card for entry 2231308

Structure parameters

• Chemical name: (<i>E</i>)-2-[4-(Trifluoromethoxy)benzylidene]indan-1-one
• Formula: C17 H11 F3 O2
• Calculated formula: C17 H11 F3 O2
• SMILES: FC(F)(F)Oc1ccc(/C=C/2Cc3ccccc3C2=O)cc1
• Title of publication: (<i>E</i>)-2-[4-(Trifluoromethoxy)benzylidene]indan-1-one
• Authors of publication: Ali, Mohamed Ashraf; Ismail, Rusli; Tan, Soo Choon; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2147
• a: 15.2216 ± 0.0004 Å
• b: 14.6734 ± 0.0004 Å
• c: 6.1463 ± 0.0001 Å
• α: 90°
• β: 95.872 ± 0.001°
• γ: 90°
• Cell volume: 1365.59 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 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: 0.0821
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes