Information card for entry 2019769

Structure parameters

• Common name: chalcone
• Chemical name: (<i>E</i>)-1-(4'-Methoxy-[1,1'-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one
• Formula: C22 H17 N O4
• Calculated formula: C22 H17 N O4
• Title of publication: Crystal structure of (E)-1-(4′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one
• Authors of publication: Vidhyasagar, T.; Rajeswari, K.; Shanthi, D.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: 1
• a: 10.1924 ± 0.0003 Å
• b: 10.8732 ± 0.0003 Å
• c: 16.9675 ± 0.0006 Å
• α: 97.926 ± 0.002°
• β: 93.711 ± 0.002°
• γ: 107.729 ± 0.002°
• Cell volume: 1762.6 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1325
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes