Information card for entry 2212480

Structure parameters

• Chemical name: (2E)-3-(Biphenyl-4-yl)-1-(4-bromophenyl)prop-2-en-1-one
• Formula: C21 H15 Br O
• Calculated formula: C21 H15 Br O
• SMILES: c1(ccc(cc1)C(=O)/C=C/c1ccc(cc1)c1ccccc1)Br
• Title of publication: (2<i>E</i>)-3-(Biphenyl-4-yl)-1-(4-bromophenyl)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: o1355 - o1356
• a: 37.35 ± 0.03 Å
• b: 7.3663 ± 0.0015 Å
• c: 6.0978 ± 0.0017 Å
• α: 90°
• β: 92.63 ± 0.04°
• γ: 90°
• Cell volume: 1675.9 ± 1.5 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: 0.1098
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes