Information card for entry 2235515

Structure parameters

• Chemical name: (2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(2- fluorophenyl)prop-2-en-1-one
• Formula: C28 H19 F3 O2
• Calculated formula: C28 H19 F3 O2
• SMILES: Fc1ccc(cc1)c1cc(c(c(OC)c1)C(=O)/C=C/c1c(F)cccc1)c1ccc(F)cc1
• Title of publication: (2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(2-fluorophenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Samshuddin, S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2024
• a: 13.7592 ± 0.0001 Å
• b: 6.7898 ± 0.0001 Å
• c: 22.4361 ± 0.0003 Å
• α: 90°
• β: 101.908 ± 0.001°
• γ: 90°
• Cell volume: 2050.92 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0874
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes