Information card for entry 2234658

Structure parameters

• Chemical name: (2<i>E</i>)- 1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3- (2,6-difluorophenyl)prop-2-en-1-one
• Formula: C28 H18 F4 O2
• Calculated formula: C28 H18 F4 O2
• SMILES: Fc1ccc(cc1)c1cc(c(c(OC)c1)C(=O)/C=C/c1c(F)cccc1F)c1ccc(F)cc1
• Title of publication: (2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(2,6-difluorophenyl)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: o1560 - o1561
• a: 8.9624 ± 0.0005 Å
• b: 10.2127 ± 0.0006 Å
• c: 13.3281 ± 0.0007 Å
• α: 67.78 ± 0.001°
• β: 86.776 ± 0.001°
• γ: 85.293 ± 0.001°
• Cell volume: 1125.1 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes