Information card for entry 2218657

Structure parameters

• Chemical name: 1-(3-Bromophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one
• Formula: C17 H15 Br O2
• Calculated formula: C17 H15 Br O2
• SMILES: Brc1cc(ccc1)C(=O)/C=C/c1ccc(OCC)cc1
• Title of publication: (<i>E</i>)-1-(3-Bromophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Patil, P. S.; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1356 - o1357
• a: 4.0516 ± 0.0001 Å
• b: 9.6501 ± 0.0002 Å
• c: 17.912 ± 0.0004 Å
• α: 90°
• β: 92.396 ± 0.001°
• γ: 90°
• Cell volume: 699.72 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes