Information card for entry 2205384

Structure parameters

• Chemical name: 3-(3-Hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• Title of publication: 3-(3-Hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: S. Sathiya Moorthi; K. Chinnakali; S. Nanjundan; P. Selvam; Hoong-Kun Fun; Xiao-Lan Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o743 - o745
• a: 5.6459 ± 0.0009 Å
• b: 13.973 ± 0.002 Å
• c: 16.875 ± 0.003 Å
• α: 88.517 ± 0.003°
• β: 85.574 ± 0.003°
• γ: 81.742 ± 0.003°
• Cell volume: 1313.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes