Information card for entry 2221504

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Bromophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Formula: C18 H17 Br O4
• Calculated formula: C18 H17 Br O4
• SMILES: Brc1ccc(cc1)C(=O)/C=C/c1c(OC)cc(OC)cc1OC
• Title of publication: (<i>E</i>)-1-(4-Bromophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Chantrapromma, Suchada; Suwunwong, Thitipone; Karalai, Chatchanok; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o893 - o894
• a: 6.369 ± 0.0001 Å
• b: 9.2553 ± 0.0001 Å
• c: 14.1884 ± 0.0002 Å
• α: 104.397 ± 0.001°
• β: 93.748 ± 0.001°
• γ: 98.799 ± 0.001°
• Cell volume: 795.88 ± 0.019 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0294
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes