Information card for entry 2212479

Structure parameters

• Chemical name: (2E)-3-(Biphenyl-4-yl)-1-(4-chlorophenyl)prop-2-en-1-one
• Formula: C21 H15 Cl O
• Calculated formula: C21 H15 Cl O
• SMILES: c1(ccc(cc1)C(=O)/C=C/c1ccc(cc1)c1ccccc1)Cl
• Title of publication: (2<i>E</i>)-3-(Biphenyl-4-yl)-1-(4-chlorophenyl)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: o1353 - o1354
• a: 36.723 ± 0.014 Å
• b: 7.303 ± 0.003 Å
• c: 6.0172 ± 0.0016 Å
• α: 90°
• β: 93.06 ± 0.03°
• γ: 90°
• Cell volume: 1611.4 ± 1 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes