Information card for entry 2232621

Structure parameters

• Chemical name: (<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-methylphenyl)prop-2-en-1-one
• Formula: C29 H22 F2 O2
• Calculated formula: C29 H22 F2 O2
• SMILES: Fc1ccc(c2cc(OC)c(C(=O)/C=C/c3ccc(C)cc3)c(c2)c2ccc(F)cc2)cc1
• Title of publication: (<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-methylphenyl)prop-2-en-1-one
• Authors of publication: Betz, Richard; Gerber, Thomas; Hosten, Eric; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3181 - o3182
• a: 6.902 ± 0.0003 Å
• b: 11.3965 ± 0.0006 Å
• c: 14.8362 ± 0.0008 Å
• α: 96.177 ± 0.002°
• β: 93.381 ± 0.002°
• γ: 106.446 ± 0.002°
• Cell volume: 1107.85 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0566
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes