Information card for entry 2212481

Structure parameters

• Chemical name: (2E)-3-(Biphenyl-4-yl)-1-phenylprop-2-en-1-one
• Formula: C21 H16 O
• Calculated formula: C21 H16 O
• SMILES: c1ccc(cc1)c1ccc(cc1)/C=C/C(=O)c1ccccc1
• Title of publication: (2<i>E</i>)-3-(Biphenyl-4-yl)-1-phenylprop-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: o1357 - o1358
• a: 11.7645 ± 0.001 Å
• b: 5.8118 ± 0.0003 Å
• c: 22.426 ± 0.002 Å
• α: 90°
• β: 99.304 ± 0.008°
• γ: 90°
• Cell volume: 1513.2 ± 0.2 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• 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: 0.103
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes