Information card for entry 2214139

Structure parameters

• Chemical name: 1-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: O(c1cccc(c1)/C=C/C(=O)c1cc(OC)c(OC)cc1)C
• Title of publication: 1-(3,4-Dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash; Y. E. Satheesh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3239 - o3239
• a: 7.4583 ± 0.0003 Å
• b: 10.7134 ± 0.0004 Å
• c: 10.96 ± 0.0004 Å
• α: 107.062 ± 0.002°
• β: 107.744 ± 0.002°
• γ: 98.22 ± 0.002°
• Cell volume: 770.96 ± 0.05 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0895
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.2112
• 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: No
• Has Fobs: Yes