Information card for entry 2311248

Structure parameters

• Common name: chalcone
• Chemical name: (<i>E</i>)-1-([1,1'-Biphenyl]-4-yl)-3-(2-methylphenyl)prop-2-en-1-one
• Formula: C22 H18 O
• Calculated formula: C22 H18 O
• SMILES: O=C(/C=C/c1c(C)cccc1)c1ccc(cc1)c1ccccc1
• Title of publication: (E)-1-([1,1'-Biphen-yl]-4-yl)-3-(2-methyl-phen-yl)prop-2-en-1-one.
• Authors of publication: Shanthi, D.; Vidhya Sagar, T.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 7
• Pages of publication: o809 - 10
• a: 7.6396 ± 0.0003 Å
• b: 9.9106 ± 0.0004 Å
• c: 11.9263 ± 0.0004 Å
• α: 103.166 ± 0.002°
• β: 104.713 ± 0.002°
• γ: 103.308 ± 0.002°
• Cell volume: 809.66 ± 0.06 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No