Information card for entry 2216978

Structure parameters

• Chemical name: (2E)-3-(4-Methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
• Formula: C16 H13 N O3
• Calculated formula: C16 H13 N O3
• Title of publication: (2<i>E</i>)-3-(4-Methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Narayana, B.; Lakshmana, K.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o1 - o2
• a: 8.0951 ± 0.0003 Å
• b: 11.5088 ± 0.0005 Å
• c: 14.697 ± 0.0005 Å
• α: 80.351 ± 0.003°
• β: 74.83 ± 0.003°
• γ: 84.416 ± 0.003°
• Cell volume: 1300.78 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes