Information card for entry 2239379

Structure parameters

• Chemical name: 1-(3,4-Dimethoxyphenyl)-3-phenylprop-2-en-1-one
• Formula: C17 H16 O3
• Calculated formula: C17 H16 O3
• SMILES: COc1cc(ccc1OC)C(=O)/C=C/c1ccccc1
• Title of publication: 1-(3,4-Dimethoxyphenyl)-3-phenylprop-2-en-1-one
• Authors of publication: Umesha, Basavaiah; Basavaraju, Yeriyur Basavaiah; Kaur, Manpreet; Yathirajan, Hemmige S.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o368
• a: 7.3269 ± 0.0007 Å
• b: 9.8923 ± 0.0011 Å
• c: 10.7668 ± 0.0011 Å
• α: 102.408 ± 0.009°
• β: 109.255 ± 0.009°
• γ: 98.951 ± 0.009°
• Cell volume: 697.48 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes