Information card for entry 2234620

Structure parameters

• Chemical name: (2<i>E</i>)-3-(2-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''- terphenyl-4'-yl)prop-2-en-1-one
• Formula: C28 H19 Br F2 O2
• Calculated formula: C28 H19 Br F2 O2
• SMILES: Fc1ccc(c2c(C(=O)/C=C/c3c(Br)cccc3)c(OC)cc(c2)c2ccc(F)cc2)cc1
• Title of publication: (2<i>E</i>)-3-(2-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1314 - o1315
• a: 22.4861 ± 0.0006 Å
• b: 6.9006 ± 0.0002 Å
• c: 28.6933 ± 0.0008 Å
• α: 90°
• β: 101.286 ± 0.002°
• γ: 90°
• Cell volume: 4366.2 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes