Information card for entry 2232802

Structure parameters

• Chemical name: (<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)- 3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
• Formula: C33 H24 F2 O3
• Calculated formula: C33 H24 F2 O3
• SMILES: Fc1ccc(c2c(C(=O)/C=C/c3ccc4cc(OC)ccc4c3)c(OC)cc(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-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Samshuddin, S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3327 - o3328
• a: 6.9524 ± 0.0005 Å
• b: 33.024 ± 0.002 Å
• c: 11.603 ± 0.0009 Å
• α: 90°
• β: 107.267 ± 0.001°
• γ: 90°
• Cell volume: 2543.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes