Information card for entry 2212478

Structure parameters

• Chemical name: (2E)-3-(Biphenyl-4-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
• Formula: C21 H14 Cl2 O
• Calculated formula: C21 H14 Cl2 O
• SMILES: c1(ccc(c(c1)Cl)C(=O)/C=C/c1ccc(cc1)c1ccccc1)Cl
• Title of publication: (2<i>E</i>)-3-(Biphenyl-4-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
• Authors of publication: Fischer, Andreas; Yathirajan, H. S.; Ashalatha, B. V.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1351 - o1352
• a: 7.6022 ± 0.0006 Å
• b: 11.9149 ± 0.0014 Å
• c: 37.877 ± 0.004 Å
• α: 85.413 ± 0.008°
• β: 85.375 ± 0.006°
• γ: 86.547 ± 0.007°
• Cell volume: 3403.8 ± 0.6 ų
• Cell temperature: 296 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: 0.0963
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes