Information card for entry 2243076

Structure parameters

• Chemical name: (<i>E</i>)-3-(2-Hydroxy-4-methylphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: Oc1cc(ccc1/C=C/C(=O)c1c(OC)cc(OC)cc1OC)C
• Title of publication: Crystal structure of (<i>E</i>)-3-(2-hydroxy-4-methylphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Jumaah, Maadh; Kwong, Huey Chong; Khairuddean, Melati
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 9
• Pages of publication: 1379 - 1382
• a: 6.8072 ± 0.0003 Å
• b: 8.5792 ± 0.0004 Å
• c: 15.801 ± 0.0007 Å
• α: 100.365 ± 0.001°
• β: 99.433 ± 0.001°
• γ: 104.984 ± 0.001°
• Cell volume: 855.09 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0825
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes